data_2lkx_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 2lkx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.394 0.616 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -58.41 -29.34 66.01 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.22 -0.925 . . . . 0.0 113.478 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -61.6 -38.0 85.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.62 -0.705 . . . . 0.0 112.035 172.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -64.41 -46.23 84.15 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.408 1.004 . . . . 0.0 110.049 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.06 -36.87 78.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.932 0.893 . . . . 0.0 111.797 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.66 -19.23 65.17 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -95.81 -36.55 11.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.184 1.356 . . . . 0.0 112.227 167.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.5 mt -66.73 -46.21 76.2 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.761 0.825 . . . . 0.0 111.929 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.02 -39.86 75.57 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.078 0.853 . . . . 0.0 112.276 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.05 66.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.93 0.892 . . . . 0.0 112.289 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -87.48 -41.74 13.3 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.74 0.816 . . . . 0.0 111.498 170.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -62.27 -24.04 67.05 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.766 1.227 . . . . 0.0 113.799 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -9.97 59.65 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt-85 -120.97 -21.94 6.35 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.629 1.572 . . . . 0.0 114.646 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -152.75 105.99 3.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.619 1.567 . . . . 0.0 110.45 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -82.06 -14.6 55.61 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -135.41 61.4 44.04 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.95 1.3 . . . . 0.0 112.857 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -69.7 139.24 39.94 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.521 2.814 . . . . 0.0 114.297 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.43 156.91 35.41 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.026 2.13 . . . . 0.0 112.63 169.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 ptp -54.47 -34.52 61.69 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.967 -1.083 . . . . 0.0 113.76 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.2 p -59.1 -27.75 65.86 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.938 1.295 . . . . 0.0 113.205 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.4 m -94.54 -38.25 10.98 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.799 1.639 . . . . 0.0 111.847 173.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -62.76 -31.82 72.85 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.246 -0.909 . . . . 0.0 112.227 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.83 -28.94 63.9 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 171.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.27 -46.66 69.81 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.889 1.222 . . . . 0.0 110.743 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -54.91 -37.71 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.95 0.9 . . . . 0.0 110.727 174.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.76 78.92 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.059 0.944 . . . . 0.0 113.482 173.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.53 -45.15 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 120.029 1.286 . . . . 0.0 110.909 172.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -68.84 -16.24 63.72 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 p -116.04 -10.65 11.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.69 1.596 . . . . 0.0 113.874 -175.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.308 2.9 t30 60.68 28.77 18.48 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 127.73 2.412 . . . . 0.0 115.101 -166.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.82 -168.23 2.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.771 1.628 . . . . 0.0 110.589 169.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 p -130.46 159.06 38.2 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.237 2.215 . . . . 0.0 109.753 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -54.61 -42.07 70.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.7 1.2 . . . . 0.0 113.78 -167.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.52 74.84 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.712 -0.618 . . . . 0.0 112.572 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -65.84 -40.62 91.91 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.062 0.945 . . . . 0.0 110.938 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.16 -44.89 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.701 0.8 . . . . 0.0 110.469 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -62.43 -45.79 91.48 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.624 0.77 . . . . 0.0 112.961 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 m -67.73 -33.14 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 118.394 -0.812 . . . . 0.0 111.573 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -62.97 -47.18 84.29 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.352 0.978 . . . . 0.0 111.166 170.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.38 -45.3 84.62 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.55 -35.01 76.84 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.905 1.23 . . . . 0.0 112.254 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -65.42 -34.16 77.64 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.618 1.099 . . . . 0.0 112.313 169.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.802 0 CA-C-N 120.374 1.443 . . . . 0.0 112.366 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 121.739 0.78 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -56.39 -37.64 70.41 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.66 1.184 . . . . 0.0 113.194 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -68.32 -28.61 67.31 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.481 -0.762 . . . . 0.0 112.834 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -75.07 -44.16 49.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.963 0.905 . . . . 0.0 110.736 171.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.62 -34.34 69.19 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.173 0.989 . . . . 0.0 112.783 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -61.58 -17.08 53.51 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -90.15 -38.3 13.6 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.834 1.652 . . . . 0.0 112.464 165.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.15 -47.03 66.11 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.981 0.913 . . . . 0.0 112.057 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.45 -38.47 77.81 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.642 -0.661 . . . . 0.0 112.116 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.78 78.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.891 0.876 . . . . 0.0 112.042 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.9 m -68.26 -49.13 62.67 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.077 0.551 . . . . 0.0 110.698 172.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -56.53 -33.27 65.9 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.31 0.959 . . . . 0.0 113.416 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -72.01 -5.13 32.84 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -136.13 -15.61 1.71 Allowed 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -158.83 119.54 3.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.495 1.918 . . . . 0.0 111.386 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -86.37 -12.45 49.24 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 171.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -131.1 67.47 80.76 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.976 1.31 . . . . 0.0 112.298 -168.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -69.6 132.98 24.73 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.227 2.618 . . . . 0.0 111.566 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -73.81 163.21 28.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.072 1.349 . . . . 0.0 112.734 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -53.13 -33.18 51.23 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 172.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.9 p -75.28 -18.29 60.1 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.777 1.631 . . . . 0.0 113.666 176.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.2 m -102.12 -38.75 7.58 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.657 1.583 . . . . 0.0 111.776 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -61.8 -32.04 72.31 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.218 -0.926 . . . . 0.0 111.945 173.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.85 -31.51 64.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 117.915 -1.04 . . . . 0.0 113.684 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -65.15 -48.7 72.6 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.043 1.292 . . . . 0.0 110.36 170.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.3 mt -55.21 -40.37 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.74 0.816 . . . . 0.0 110.706 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.18 -30.75 70.79 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.86 -54.58 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 120.202 1.365 . . . . 0.0 110.116 170.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -64.35 -23.56 67.34 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -108.41 3.01 22.82 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.927 1.691 . . . . 0.0 114.485 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.1 t30 53.18 40.23 30.92 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.045 1.738 . . . . 0.0 114.36 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.1 -178.01 3.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.466 1.906 . . . . 0.0 111.331 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.2 p -114.67 158.45 21.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.813 1.245 . . . . 0.0 109.496 153.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -62.67 -30.3 71.29 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.558 -1.339 . . . . 0.0 113.289 -169.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.35 -41.03 68.65 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.947 0.899 . . . . 0.0 112.326 173.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 mmm-85 -71.17 -32.28 68.72 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.654 -0.654 . . . . 0.0 111.904 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.09 -42.68 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.353 0.661 . . . . 0.0 110.678 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -63.56 -43.84 95.86 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.864 1.265 . . . . 0.0 111.722 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 t -56.49 -47.18 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.9 1.68 . . . . 0.0 111.34 170.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -62.45 -46.23 89.49 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.783 0.72 . . . . 0.0 111.581 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -63.58 -49.21 74.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.706 0.684 . . . . 0.0 112.682 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -34.03 74.78 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.807 1.185 . . . . 0.0 112.903 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -73.51 -22.85 60.01 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 120.773 -1.204 . . . . 0.0 112.856 170.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 . . . . . 0 N--CA 1.477 0.911 0 O-C-N 120.278 -1.514 . . . . 0.0 111.924 166.655 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.646 0.26 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 m -66.11 -17.51 64.76 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.918 -1.114 . . . . 0.0 113.286 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -70.07 -35.14 74.01 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.934 -1.104 . . . . 0.0 111.049 168.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -80.56 -48.49 12.64 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.631 0.773 . . . . 0.0 111.6 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.5 -36.72 79.03 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.398 1.079 . . . . 0.0 112.694 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -66.39 -24.46 66.48 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -77.73 -40.43 41.17 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.525 1.057 . . . . 0.0 110.656 170.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 mt -71.48 -48.92 46.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.918 1.687 . . . . 0.0 112.862 -175.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.9 -39.01 83.67 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.109 0.868 . . . . 0.0 112.626 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.13 77.49 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.893 -0.504 . . . . 0.0 111.048 175.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.2 m -66.08 -45.81 79.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.737 0.415 . . . . 0.0 111.126 169.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -58.72 -36.84 74.93 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.203 0.911 . . . . 0.0 112.579 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -70.58 -8.89 54.96 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -115.29 -23.66 8.81 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 172.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -156.64 113.55 3.1 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.008 1.723 . . . . 0.0 110.382 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.5 mtm-85 -78.38 -9.5 59.3 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -134.5 54.05 10.89 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.098 1.359 . . . . 0.0 113.622 -164.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -62.08 134.86 51.61 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.962 2.441 . . . . 0.0 113.091 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.69 165.45 25.04 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.65 1.58 . . . . 0.0 112.872 176.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -51.13 -33.13 25.31 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -77.29 -31.95 55.11 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.58 0.752 . . . . 0.0 112.368 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.4 m -76.56 -40.34 50.07 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.313 -0.867 . . . . 0.0 111.371 171.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -63.46 -32.84 74.4 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.06 -1.025 . . . . 0.0 112.293 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.89 -29.03 50.02 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.89 -44.69 88.79 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.512 1.505 . . . . 0.0 111.515 170.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.8 mt -55.7 -39.4 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.41 0.684 . . . . 0.0 110.25 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.24 -22.25 62.92 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 175.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.3 t -76.87 -38.48 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 120.472 1.487 . . . . 0.0 111.14 169.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -69.3 -43.9 72.88 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.098 0.863 . . . . 0.0 112.108 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -88.2 -6.89 57.58 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 t30 53.74 37.6 26.6 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.803 1.241 . . . . 0.0 113.644 -170.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -102.09 -154.19 0.48 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.214 1.806 . . . . 0.0 110.194 174.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.47 149.37 45.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.622 1.569 . . . . 0.0 110.99 174.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -50.23 -47.36 54.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.605 1.562 . . . . 0.0 114.857 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.66 -27.4 65.96 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.593 1.088 . . . . 0.0 112.386 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -65.24 -38.27 89.84 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.967 -1.083 . . . . 0.0 111.025 171.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.73 -39.24 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.713 0.805 . . . . 0.0 110.794 171.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -58.13 -48.25 80.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.984 1.314 . . . . 0.0 111.83 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 m -74.87 -23.53 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -65.18 -51.16 62.79 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.302 0.956 . . . . 0.0 110.461 167.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.71 -41.08 98.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 118.532 -0.747 . . . . 0.0 112.745 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -61.96 -42.33 99.0 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.556 1.071 . . . . 0.0 112.623 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -75.71 -26.62 57.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.454 0.57 . . . . 0.0 112.395 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 CA-C-N 118.643 0.656 . . . . 0.0 112.098 169.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -55.33 -35.77 65.52 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.64 -0.662 . . . . 0.0 112.426 174.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -62.21 -30.55 71.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.434 0.694 . . . . 0.0 112.843 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -82.23 -47.38 12.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.827 0.851 . . . . 0.0 111.378 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.54 -28.46 69.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.285 1.034 . . . . 0.0 113.423 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -49.43 -39.48 33.07 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.031 1.732 . . . . 0.0 113.311 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -82.29 -25.95 33.53 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.951 0.796 . . . . 0.0 112.665 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -75.34 -45.94 36.33 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.085 0.954 . . . . 0.0 110.996 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -65.42 -39.46 92.15 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.772 0.714 . . . . 0.0 112.255 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.82 -32.74 74.35 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.1 m -76.58 -44.72 33.42 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.472 0.709 . . . . 0.0 111.129 174.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -56.74 -35.89 69.11 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.251 1.02 . . . . 0.0 112.866 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.93 -16.27 49.58 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -123.82 -30.51 3.54 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -147.22 118.71 7.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.824 1.25 . . . . 0.0 110.279 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -93.95 -6.52 45.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.32 1.048 . . . . 0.0 113.223 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -131.06 63.13 69.25 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.054 1.341 . . . . 0.0 113.49 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -71.68 133.56 22.35 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 123.541 2.827 . . . . 0.0 112.947 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.41 152.49 29.56 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.025 1.33 . . . . 0.0 112.832 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.5 ptp -47.02 -37.65 9.61 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.022 1.329 . . . . 0.0 114.137 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 t -69.74 -35.02 74.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.19 0.596 . . . . 0.0 111.896 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m -74.56 -36.72 63.08 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.057 0.943 . . . . 0.0 111.519 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -61.25 -37.61 83.7 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 118.519 -0.753 . . . . 0.0 112.076 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -73.8 -30.83 62.95 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.54 -45.06 92.29 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.517 1.508 . . . . 0.0 110.946 170.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.8 mt -57.29 -36.56 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.443 -0.786 . . . . 0.0 111.042 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.98 -19.21 61.26 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.73 -42.36 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 120.347 1.43 . . . . 0.0 110.027 166.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -65.14 -45.31 85.57 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.236 0.614 . . . . 0.0 111.652 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 p -98.99 0.71 44.45 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -172.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 58.07 43.85 20.27 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.396 1.479 . . . . 0.0 113.263 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mp -105.63 -158.15 0.65 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.167 2.187 . . . . 0.0 110.367 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.9 p -129.47 168.06 16.9 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.919 1.287 . . . . 0.0 109.414 157.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -49.94 -45.91 51.68 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.615 -0.678 . . . . 0.0 112.268 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.04 99.55 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.487 0.715 . . . . 0.0 112.045 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -62.42 -36.75 83.35 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.248 -0.908 . . . . 0.0 112.737 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.65 -44.45 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.003 0.521 . . . . 0.0 110.382 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -56.07 -47.75 77.39 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.598 1.159 . . . . 0.0 112.237 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.37 -36.68 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 118.892 -0.575 . . . . 0.0 112.105 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -60.67 -38.19 84.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.819 0.736 . . . . 0.0 112.058 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -71.11 -47.27 59.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.284 -0.865 . . . . 0.0 113.216 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -64.74 -35.8 82.22 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 120.68 1.582 . . . . 0.0 112.124 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -65.98 -24.35 66.76 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.543 -0.723 . . . . 0.0 112.804 170.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 119.859 1.209 . . . . 0.0 113.658 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.974 0.416 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 m -61.52 -36.17 79.78 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.511 -1.368 . . . . 0.0 112.566 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.64 -29.03 69.01 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.481 -0.762 . . . . 0.0 112.456 172.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -78.21 -47.82 17.18 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.097 0.862 . . . . 0.0 110.95 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.53 -41.68 86.03 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.132 0.973 . . . . 0.0 112.496 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -61.03 -30.43 70.31 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -86.73 -29.34 22.46 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.556 1.071 . . . . 0.0 112.359 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.84 -45.05 75.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.643 0.777 . . . . 0.0 111.341 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -68.49 -37.83 80.47 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.319 -0.863 . . . . 0.0 112.888 174.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -20.02 66.24 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.874 0.87 . . . . 0.0 112.58 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -84.2 -49.45 8.81 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.572 1.149 . . . . 0.0 111.19 168.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.87 -36.32 74.42 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.286 -0.884 . . . . 0.0 112.823 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -4.84 16.9 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 176.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -118.47 -24.26 6.88 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 167.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -151.9 113.66 4.41 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.295 1.038 . . . . 0.0 112.313 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -80.73 -11.16 59.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.7 1.2 . . . . 0.0 114.082 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -143.34 56.39 4.59 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.384 1.474 . . . . 0.0 114.272 -169.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -61.23 141.98 94.91 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.176 2.584 . . . . 0.0 112.991 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.46 154.7 31.42 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.901 1.28 . . . . 0.0 112.374 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 ptm -49.53 -40.2 37.13 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.141 0.976 . . . . 0.0 113.129 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -74.14 -17.47 60.92 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.5 m -92.9 -39.72 11.0 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.091 1.756 . . . . 0.0 111.545 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -57.74 -35.12 70.28 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.048 0.939 . . . . 0.0 112.136 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.9 -18.03 60.48 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.96 -44.1 27.8 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 120.575 1.534 . . . . 0.0 110.984 169.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.9 mt -56.08 -33.94 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.193 0.997 . . . . 0.0 110.681 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.33 -20.37 66.07 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.68 -53.56 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 120.462 1.483 . . . . 0.0 110.614 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -61.94 -38.55 88.87 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.899 0.879 . . . . 0.0 111.137 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -86.76 -8.47 57.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.971 1.709 . . . . 0.0 114.218 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.4 t30 59.95 24.84 13.97 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 125.219 1.407 . . . . 0.0 114.17 -173.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.74 -173.64 4.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.074 1.75 . . . . 0.0 111.931 171.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.0 m -124.73 151.93 44.43 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.377 2.271 . . . . 0.0 107.801 165.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -47.54 -45.5 26.84 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 120.338 1.426 . . . . 0.0 114.658 -172.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.43 72.38 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -65.71 -40.29 92.07 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.192 0.997 . . . . 0.0 111.022 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.45 -41.85 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.79 0.836 . . . . 0.0 110.296 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -59.96 -45.16 93.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.821 1.248 . . . . 0.0 112.499 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.0 -49.03 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.214 1.006 . . . . 0.0 110.698 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -61.88 -39.04 90.53 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.98 -44.51 65.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.015 0.926 . . . . 0.0 112.815 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -65.56 -33.56 76.2 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.959 1.254 . . . . 0.0 112.08 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -68.66 -36.77 78.99 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.289 0.95 . . . . 0.0 113.258 170.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.933 0 CA-C-N 119.621 1.1 . . . . 0.0 112.198 173.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 121.201 0.524 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 m -60.25 -30.08 69.2 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.405 -0.809 . . . . 0.0 112.583 172.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -67.95 -42.34 81.11 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.273 1.397 . . . . 0.0 112.766 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -58.13 -42.95 86.92 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.05 1.295 . . . . 0.0 110.307 173.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.77 -34.85 78.73 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.828 0.851 . . . . 0.0 113.125 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -70.63 -10.1 58.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -93.9 -38.19 11.33 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.847 1.203 . . . . 0.0 111.602 163.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.2 mt -69.49 -51.14 38.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.062 1.345 . . . . 0.0 112.45 -177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.54 -37.62 74.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.53 1.132 . . . . 0.0 111.984 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.04 79.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.345 0.658 . . . . 0.0 111.601 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.7 m -71.47 -47.02 58.27 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.803 -0.561 . . . . 0.0 111.293 170.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -56.47 -36.91 69.62 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.03 0.932 . . . . 0.0 112.903 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.35 -0.85 13.45 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -130.72 -18.6 3.07 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 170.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -149.37 90.15 1.7 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.439 1.896 . . . . 0.0 109.197 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -72.44 -18.2 61.72 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.826 1.251 . . . . 0.0 113.237 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -130.01 66.37 77.56 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 126.15 1.78 . . . . 0.0 111.269 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -71.34 175.39 9.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.59 2.86 . . . . 0.0 113.85 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.87 157.25 17.61 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.106 1.762 . . . . 0.0 113.445 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -54.89 -30.75 58.92 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -79.19 -39.18 34.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.752 0.705 . . . . 0.0 111.258 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.2 m -64.57 -40.15 95.03 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.846 -1.159 . . . . 0.0 111.788 169.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -64.63 -36.35 83.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.339 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.68 -30.23 61.5 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.088 1.313 . . . . 0.0 113.826 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.76 -46.01 76.74 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.844 1.202 . . . . 0.0 110.901 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.99 -31.83 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.606 -0.684 . . . . 0.0 111.166 173.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.93 -32.94 74.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 118.475 -0.774 . . . . 0.0 112.985 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.45 -48.27 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 119.908 1.231 . . . . 0.0 110.295 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -65.87 -26.8 67.8 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.3 p -109.39 -2.48 17.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.862 1.665 . . . . 0.0 114.275 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t30 55.93 41.35 30.02 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.902 1.681 . . . . 0.0 114.336 -172.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.88 -169.3 1.66 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.519 1.927 . . . . 0.0 109.929 171.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.9 p -117.65 162.9 17.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.736 1.214 . . . . 0.0 110.423 158.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -47.64 -46.25 28.64 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.918 0.887 . . . . 0.0 112.7 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.12 80.96 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.467 0.707 . . . . 0.0 111.809 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -66.78 -35.09 79.28 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 120.982 -1.074 . . . . 0.0 112.911 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.8 t -65.86 -42.08 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.754 0.706 . . . . 0.0 110.864 172.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -62.61 -43.39 98.93 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.279 1.032 . . . . 0.0 111.902 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.18 -44.27 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.269 1.428 . . . . 0.0 111.149 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -60.57 -45.3 94.43 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.455 0.57 . . . . 0.0 111.905 174.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.78 -44.89 95.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.786 0.721 . . . . 0.0 112.473 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -67.62 -36.23 80.42 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.127 0.876 . . . . 0.0 112.428 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -68.86 -36.74 78.5 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.593 1.088 . . . . 0.0 113.46 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 . . . . . 0 N--CA 1.477 0.902 0 CA-C-N 120.326 1.421 . . . . 0.0 111.736 175.272 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 120.946 0.403 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -56.14 -38.61 71.08 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.382 -0.824 . . . . 0.0 111.808 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -58.19 -35.69 71.99 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.667 1.187 . . . . 0.0 113.076 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -76.44 -43.5 39.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.62 0.768 . . . . 0.0 111.202 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.19 -32.96 72.71 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.25 -22.74 67.06 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -91.43 -32.91 15.45 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.34 1.427 . . . . 0.0 112.356 170.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.34 -49.65 68.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.309 1.043 . . . . 0.0 111.101 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -70.94 -34.15 71.19 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.467 -0.771 . . . . 0.0 112.936 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.42 75.93 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.561 -0.712 . . . . 0.0 112.274 173.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -71.15 -41.03 70.94 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.158 0.583 . . . . 0.0 110.971 170.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -65.91 -24.46 66.84 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.178 -0.951 . . . . 0.0 113.32 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.19 -0.35 11.78 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 166.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -137.18 -20.41 1.23 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -156.4 126.15 6.34 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.402 1.881 . . . . 0.0 110.261 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -89.94 -15.72 31.43 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.561 1.144 . . . . 0.0 113.862 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -133.07 61.61 56.79 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.751 1.221 . . . . 0.0 113.101 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -61.22 141.16 92.38 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.085 2.523 . . . . 0.0 112.527 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -92.95 168.65 11.01 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.328 1.451 . . . . 0.0 111.329 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.8 ptm -53.31 -26.88 20.32 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 -174.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 t -85.14 -31.49 23.26 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.43 1.092 . . . . 0.0 112.631 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -47.35 62.51 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.831 -1.168 . . . . 0.0 110.974 172.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -64.94 -32.09 73.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.239 1.415 . . . . 0.0 112.529 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.74 -29.78 61.28 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -71.79 -41.4 68.34 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.702 1.137 . . . . 0.0 110.834 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -55.14 -36.36 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.828 -0.545 . . . . 0.0 110.14 169.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.35 -17.84 61.24 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.06 -53.12 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 120.452 1.478 . . . . 0.0 109.241 163.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -66.5 -38.03 86.34 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 p -89.32 -4.16 58.21 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.041 1.336 . . . . 0.0 114.527 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.2 t30 56.38 54.07 8.02 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.816 1.646 . . . . 0.0 113.464 -172.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mp -114.69 -165.93 1.06 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.778 2.431 . . . . 0.0 111.078 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 p -112.3 161.2 16.89 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.39 -0.819 . . . . 0.0 110.122 152.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -52.31 -43.26 64.42 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.883 0.873 . . . . 0.0 112.416 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.76 79.22 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.747 0.819 . . . . 0.0 112.78 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -69.02 -34.75 75.76 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.734 -1.229 . . . . 0.0 112.553 173.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -64.18 -43.59 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.533 0.606 . . . . 0.0 110.303 171.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -58.11 -46.93 84.73 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.627 1.171 . . . . 0.0 112.188 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.6 -43.31 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.172 1.389 . . . . 0.0 111.738 176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -63.13 -47.47 82.62 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.835 0.743 . . . . 0.0 111.848 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.13 -44.91 94.55 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.104 0.562 . . . . 0.0 112.272 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -68.67 -40.85 79.96 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.24 0.927 . . . . 0.0 112.864 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.0 -24.37 66.02 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.965 1.257 . . . . 0.0 113.37 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 . . . . . 0 N--CA 1.471 0.585 0 C-N-CA 124.91 1.284 . . . . 0.0 112.201 170.262 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -56.92 -32.1 65.6 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 121.028 -1.045 . . . . 0.0 112.599 171.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -66.09 -38.86 89.32 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.827 0.851 . . . . 0.0 111.825 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -75.71 -41.38 53.7 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.459 0.704 . . . . 0.0 111.285 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.71 -35.78 75.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.993 0.917 . . . . 0.0 111.976 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -66.66 -2.44 4.9 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 175.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -111.31 -29.05 7.97 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.014 1.279 . . . . 0.0 112.979 162.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.92 -49.37 65.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.076 0.95 . . . . 0.0 111.468 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.55 -35.37 73.08 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.032 -1.042 . . . . 0.0 112.232 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.77 -18.26 62.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 171.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 m -87.56 -45.76 10.16 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.792 0.837 . . . . 0.0 111.324 166.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -58.23 -25.79 62.1 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -68.39 -21.36 64.7 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 171.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -123.29 -18.55 6.24 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -174.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -155.85 132.74 10.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.956 1.302 . . . . 0.0 110.56 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.2 mtp85 -107.61 -10.78 15.59 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.913 1.685 . . . . 0.0 113.016 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -135.01 51.81 6.48 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.8 1.64 . . . . 0.0 112.62 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.58 142.69 72.21 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.651 2.901 . . . . 0.0 113.888 -171.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.53 157.83 36.39 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.712 1.605 . . . . 0.0 113.229 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.7 ptp -44.67 -40.16 5.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.512 1.125 . . . . 0.0 113.98 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 p -66.16 -36.08 82.15 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.579 1.152 . . . . 0.0 113.02 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 m -76.96 -42.64 38.31 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.625 1.57 . . . . 0.0 110.741 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 -65.72 -37.3 86.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.458 -0.782 . . . . 0.0 112.465 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.76 -32.43 70.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.349 0.977 . . . . 0.0 112.953 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -73.71 -41.66 62.29 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.611 1.096 . . . . 0.0 112.222 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.4 mt -57.54 -39.28 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.271 -0.893 . . . . 0.0 110.353 170.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.32 83.54 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 118.241 -0.885 . . . . 0.0 113.044 172.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.12 -49.01 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.276 1.398 . . . . 0.0 110.832 171.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -64.24 -44.92 90.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.72 0.691 . . . . 0.0 111.824 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p -88.53 -6.23 57.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 54.78 33.81 20.47 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.118 1.767 . . . . 0.0 114.175 -169.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -84.96 -173.73 4.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.84 1.656 . . . . 0.0 110.06 163.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.0 p -114.51 164.87 13.39 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.947 1.299 . . . . 0.0 110.284 160.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -53.63 -43.13 68.48 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.957 0.903 . . . . 0.0 111.968 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.97 82.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.821 0.848 . . . . 0.0 112.195 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -62.91 -36.76 84.43 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.177 -0.952 . . . . 0.0 112.341 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -65.85 -45.29 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.158 0.583 . . . . 0.0 110.704 172.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -58.99 -44.83 91.67 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.318 1.047 . . . . 0.0 111.999 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.51 -44.04 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.767 1.227 . . . . 0.0 111.866 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -60.27 -43.17 96.43 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.699 0.681 . . . . 0.0 111.443 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -64.72 -47.53 77.94 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -62.89 -39.52 94.72 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 120.133 1.333 . . . . 0.0 112.297 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -68.05 -35.84 78.89 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.359 0.982 . . . . 0.0 112.744 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.145 0 CA-C-N 119.607 1.094 . . . . 0.0 113.281 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 121.004 0.43 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -63.25 -31.73 72.96 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.873 -1.142 . . . . 0.0 112.082 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -60.79 -32.23 71.57 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.611 1.165 . . . . 0.0 113.047 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -73.7 -48.95 28.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.342 0.974 . . . . 0.0 110.85 172.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.29 -36.89 81.31 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -26.17 67.47 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -175.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -83.34 -28.38 29.06 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.224 1.009 . . . . 0.0 112.636 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.42 -44.41 44.67 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.381 1.072 . . . . 0.0 110.822 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -63.86 -41.66 97.73 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.21 0.459 . . . . 0.0 111.769 171.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.42 -30.15 71.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.491 0.716 . . . . 0.0 112.536 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.0 m -72.68 -53.86 10.58 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.242 0.617 . . . . 0.0 110.578 170.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.49 -38.38 69.07 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.101 0.864 . . . . 0.0 112.348 -176.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.94 -16.98 62.11 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.128 1.371 . . . . 0.0 114.685 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ptm85 -110.98 -23.95 10.65 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.758 1.223 . . . . 0.0 113.756 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -155.46 104.69 2.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.042 1.737 . . . . 0.0 110.193 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -75.24 -8.01 55.45 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.323 1.049 . . . . 0.0 113.756 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -138.02 58.31 15.24 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.671 1.589 . . . . 0.0 112.834 -167.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -66.36 131.47 26.58 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.393 2.062 . . . . 0.0 111.175 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -77.87 167.43 21.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.09 1.356 . . . . 0.0 111.437 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 ptp -51.47 -42.34 61.55 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.9 p -58.62 -39.53 80.74 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.665 1.986 . . . . 0.0 112.931 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m -79.3 -43.6 23.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.507 1.923 . . . . 0.0 111.753 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -64.53 -41.06 96.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.85 0.86 . . . . 0.0 111.688 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -71.47 -31.54 67.27 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.779 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.98 -49.15 75.83 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.578 1.081 . . . . 0.0 112.2 167.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.91 -38.85 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.141 -0.974 . . . . 0.0 110.545 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.12 -31.07 71.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.017 0.927 . . . . 0.0 113.183 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.1 t -67.43 -44.5 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 119.867 1.212 . . . . 0.0 111.332 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -65.25 -42.56 93.17 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.179 0.9 . . . . 0.0 112.635 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.2 p -95.82 -3.56 45.37 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.67 1.588 . . . . 0.0 114.468 -173.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.274 16.5 t-20 54.61 37.34 27.91 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.294 2.238 . . . . 0.0 114.659 -170.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -85.55 -163.88 0.93 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.393 1.877 . . . . 0.0 110.962 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.8 p -120.03 161.75 20.41 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.645 1.178 . . . . 0.0 111.079 160.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.78 -28.44 34.84 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.38 1.872 . . . . 0.0 112.984 171.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.0 -39.4 30.09 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 169.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.45 -34.81 69.36 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.559 1.527 . . . . 0.0 111.838 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.19 -47.61 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.491 0.587 . . . . 0.0 111.14 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -56.59 -49.72 74.05 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.695 0.798 . . . . 0.0 111.67 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.14 -41.84 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.233 1.013 . . . . 0.0 111.323 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -62.88 -36.99 85.15 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.568 -0.707 . . . . 0.0 112.438 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.06 -51.15 49.98 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.561 1.144 . . . . 0.0 112.351 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -35.91 82.56 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.838 1.199 . . . . 0.0 113.12 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -68.4 -14.52 63.06 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 121.223 -0.923 . . . . 0.0 112.916 172.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.271 0 C-N-CA 124.863 1.265 . . . . 0.0 113.474 168.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.4 m -62.07 -37.33 84.62 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.029 -1.044 . . . . 0.0 112.856 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -65.07 -33.03 75.07 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.584 1.154 . . . . 0.0 112.611 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.21 -50.52 60.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.728 0.694 . . . . 0.0 109.942 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.68 -19.77 65.18 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -57.79 -28.52 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.596 1.089 . . . . 0.0 113.387 173.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -82.51 -35.79 27.01 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.893 1.224 . . . . 0.0 112.233 171.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -69.85 -42.26 73.8 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.568 0.747 . . . . 0.0 111.222 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.8 -39.93 79.83 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.521 0.729 . . . . 0.0 112.614 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.37 89.62 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.837 0.455 . . . . 0.0 111.361 172.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 m -66.32 -40.81 90.16 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.63 -0.669 . . . . 0.0 111.418 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.06 -19.54 65.29 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.858 -1.151 . . . . 0.0 113.745 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.7 -10.08 59.13 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 171.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -130.03 -26.85 2.34 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -147.1 101.24 3.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.436 1.495 . . . . 0.0 110.114 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -80.54 -9.24 59.78 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.103 1.761 . . . . 0.0 112.94 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -132.26 62.47 63.5 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.798 1.639 . . . . 0.0 111.482 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -67.77 142.5 58.04 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.028 2.486 . . . . 0.0 113.227 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -88.91 164.55 15.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.297 2.239 . . . . 0.0 111.912 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ptp -53.39 -38.49 63.45 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -67.53 -21.93 65.44 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 127.044 2.137 . . . . 0.0 114.401 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.7 m -98.39 -37.98 9.4 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.509 1.524 . . . . 0.0 111.056 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -63.35 -35.01 78.98 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.267 -0.895 . . . . 0.0 112.041 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.74 -29.87 62.48 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -67.19 -47.13 71.83 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.058 1.299 . . . . 0.0 111.03 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.12 -34.96 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.406 0.682 . . . . 0.0 110.994 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.92 96.18 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 172.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.6 -43.38 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.417 -0.802 . . . . 0.0 111.393 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -63.88 -32.92 74.61 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.308 0.643 . . . . 0.0 112.446 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -97.1 -8.96 28.96 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -173.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t30 64.81 46.04 3.13 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.167 1.387 . . . . 0.0 113.038 -168.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.01 -172.29 2.55 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.808 2.043 . . . . 0.0 111.044 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.94 148.26 47.04 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.316 2.246 . . . . 0.0 110.803 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -56.95 -41.64 78.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.797 1.239 . . . . 0.0 113.799 -167.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.66 -30.19 71.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.934 0.894 . . . . 0.0 112.67 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -71.4 -41.43 69.62 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.215 0.606 . . . . 0.0 111.927 172.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.89 -44.83 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.57 0.748 . . . . 0.0 110.066 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -54.98 -43.92 73.96 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.695 1.198 . . . . 0.0 112.386 174.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.4 t -72.3 -37.52 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 117.949 -1.024 . . . . 0.0 112.653 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -60.9 -42.0 97.17 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.514 1.507 . . . . 0.0 111.602 170.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.8 -42.14 86.46 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -68.59 -36.22 78.41 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.796 1.18 . . . . 0.0 112.172 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -70.52 -32.7 70.26 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.472 1.033 . . . . 0.0 112.285 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 C-N-CA 125.135 1.374 . . . . 0.0 113.069 171.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 120.918 0.39 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.3 p -58.23 -18.24 24.95 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -77.79 -38.51 46.49 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.775 1.171 . . . . 0.0 111.922 169.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -75.87 -44.78 39.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.188 0.595 . . . . 0.0 111.575 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.93 -32.72 73.16 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.037 0.935 . . . . 0.0 113.474 -171.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.48 -23.93 67.61 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -85.67 -31.12 22.69 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.847 1.203 . . . . 0.0 112.509 171.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.16 -44.94 28.41 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.45 -0.781 . . . . 0.0 111.343 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.39 -43.59 85.42 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.708 0.685 . . . . 0.0 111.847 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -34.54 75.65 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.539 -0.726 . . . . 0.0 112.215 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.3 m -67.06 -44.74 79.34 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.52 0.728 . . . . 0.0 110.894 171.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -62.71 -18.27 62.2 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.503 1.047 . . . . 0.0 113.587 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -76.68 -26.29 54.6 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 120.479 -1.388 . . . . 0.0 112.314 170.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -115.11 -20.0 10.62 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -172.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -156.13 118.13 4.0 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.358 1.463 . . . . 0.0 110.434 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -71.56 -21.87 61.82 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.078 0.951 . . . . 0.0 113.279 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -138.12 74.91 41.96 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.375 1.47 . . . . 0.0 111.274 -169.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.52 149.82 87.33 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.542 2.828 . . . . 0.0 113.008 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.14 168.06 20.14 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.586 1.154 . . . . 0.0 112.321 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.3 ptp -62.19 -25.09 67.59 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.464 -1.398 . . . . 0.0 113.135 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.9 p -73.26 -43.4 61.17 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.632 1.573 . . . . 0.0 112.445 170.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -62.88 -45.51 92.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.179 0.992 . . . . 0.0 111.433 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 mtm-85 -72.1 -35.96 69.34 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.43 1.092 . . . . 0.0 112.429 -175.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -70.21 -35.42 73.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.556 1.071 . . . . 0.0 112.371 172.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.62 -42.29 71.12 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.439 1.018 . . . . 0.0 111.873 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.76 -39.32 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 121.333 -0.855 . . . . 0.0 110.741 169.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -15.57 61.5 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.13 -49.84 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 120.339 1.427 . . . . 0.0 109.764 164.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -62.76 -27.58 69.38 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -106.28 -10.95 16.18 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.951 1.7 . . . . 0.0 114.35 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.3 t30 54.7 28.06 9.57 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -165.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.5 mt -75.21 -161.72 0.16 Allowed 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.957 -1.089 . . . . 0.0 110.124 162.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -127.6 153.57 46.25 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.87 -1.144 . . . . 0.0 110.103 165.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -52.42 -43.13 64.65 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.465 1.106 . . . . 0.0 113.184 -174.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.79 83.07 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.833 -0.542 . . . . 0.0 112.14 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -65.94 -22.75 66.51 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.262 -0.899 . . . . 0.0 113.084 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.99 -41.21 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.133 0.878 . . . . 0.0 110.609 172.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -62.46 -43.34 99.06 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.047 0.84 . . . . 0.0 111.976 172.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -57.38 -43.86 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.211 1.004 . . . . 0.0 111.366 173.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -66.03 -47.12 75.44 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.464 -0.773 . . . . 0.0 111.913 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -65.49 -42.82 91.75 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.781 0.719 . . . . 0.0 112.689 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -68.75 -40.01 80.03 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.248 0.931 . . . . 0.0 112.251 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.72 -32.59 73.99 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.489 -0.767 . . . . 0.0 112.092 173.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.116 0 CA-C-N 119.81 1.186 . . . . 0.0 113.344 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 121.263 0.554 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -60.88 -32.93 72.37 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 120.995 -1.066 . . . . 0.0 112.493 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -69.94 -35.77 74.77 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.101 0.96 . . . . 0.0 112.709 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -68.65 -46.27 69.6 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.072 0.851 . . . . 0.0 110.668 172.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.22 -30.12 69.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.814 0.846 . . . . 0.0 112.57 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -60.7 -38.0 83.56 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.32 -37.75 60.61 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 121.142 1.792 . . . . 0.0 111.495 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.57 -43.24 94.49 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.015 0.926 . . . . 0.0 111.312 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.31 -22.14 30.76 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.53 -37.21 74.05 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.408 0.549 . . . . 0.0 111.6 163.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 m -65.46 -51.47 59.93 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.772 -0.58 . . . . 0.0 110.23 171.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.31 -35.57 70.0 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.223 1.009 . . . . 0.0 113.623 -175.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -25.2 67.21 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.209 -0.932 . . . . 0.0 113.216 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -106.37 -33.86 7.62 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.407 1.483 . . . . 0.0 114.514 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -140.14 105.9 5.15 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.076 1.751 . . . . 0.0 110.965 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -73.72 -15.29 61.22 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -135.27 71.0 68.09 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 119.116 0.871 . . . . 0.0 112.476 -165.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.94 155.24 69.14 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.188 2.592 . . . . 0.0 113.069 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -88.95 159.69 17.51 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.689 1.995 . . . . 0.0 112.221 172.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -49.4 -41.6 39.98 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.6 -16.65 62.3 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.472 1.109 . . . . 0.0 112.652 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.8 m -95.56 -36.0 11.44 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.414 1.486 . . . . 0.0 111.688 170.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -64.48 -36.58 84.64 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.875 -1.14 . . . . 0.0 112.271 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -70.76 -27.14 63.71 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.248 0.931 . . . . 0.0 113.477 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -72.36 -47.7 47.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.933 0.893 . . . . 0.0 110.593 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.3 mt -57.89 -35.72 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.865 0.866 . . . . 0.0 110.791 172.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.65 95.19 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.755 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.46 -45.95 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.361 1.437 . . . . 0.0 110.909 171.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -63.27 -28.61 70.14 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.8 p -108.01 -0.26 21.38 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.998 1.319 . . . . 0.0 113.406 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 54.7 t30 58.68 20.82 8.15 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.538 1.935 . . . . 0.0 115.358 -170.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -75.97 -168.03 0.83 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.027 1.731 . . . . 0.0 111.213 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 p -130.79 155.87 45.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.129 2.172 . . . . 0.0 109.019 164.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -53.37 -40.75 65.21 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -166.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.28 93.3 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.991 0.814 . . . . 0.0 112.275 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -63.51 -38.33 90.71 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.163 -0.961 . . . . 0.0 111.287 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.02 -47.33 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.437 0.695 . . . . 0.0 110.534 173.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -57.12 -41.24 78.66 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.071 0.948 . . . . 0.0 112.228 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.89 -36.74 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.493 1.517 . . . . 0.0 112.619 174.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -61.81 -41.49 97.83 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.922 0.783 . . . . 0.0 111.946 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -68.26 -46.18 71.12 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.762 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -11.55 60.46 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 120.296 1.407 . . . . 0.0 114.751 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -87.6 -26.45 23.07 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 167.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.896 0 CA-C-N 119.878 1.217 . . . . 0.0 112.867 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.3 m -62.04 -29.51 70.34 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.142 -0.974 . . . . 0.0 112.764 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -62.2 -23.61 66.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.608 1.163 . . . . 0.0 112.973 172.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -88.15 -44.26 11.04 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.748 0.819 . . . . 0.0 111.32 168.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.02 -33.3 70.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.757 0.823 . . . . 0.0 113.125 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -64.62 -9.52 20.06 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 175.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -110.43 -36.05 5.88 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.523 1.056 . . . . 0.0 113.094 160.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.18 -53.0 42.81 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.722 1.146 . . . . 0.0 112.339 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -71.77 -36.87 70.5 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.16 0.891 . . . . 0.0 111.478 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.74 68.98 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -81.46 -45.81 15.47 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.185 0.994 . . . . 0.0 111.121 168.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -57.82 -32.97 68.11 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.107 0.867 . . . . 0.0 112.696 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.34 -26.14 68.28 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 173.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -108.97 -22.09 12.33 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -155.57 123.79 5.84 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.684 1.194 . . . . 0.0 110.187 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' HB2' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -94.29 -7.18 42.67 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.763 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' A' ' 24' ' ' ARG . 11.2 m-85 -137.78 46.79 1.42 Allowed Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 124.939 1.296 . . . . 0.0 113.679 -171.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -60.32 149.75 84.08 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 124.186 3.258 . . . . 0.0 114.491 -173.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.85 155.99 39.35 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.362 1.065 . . . . 0.0 113.8 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -47.13 -36.06 7.96 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 175.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 p -61.65 -54.83 37.56 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.273 1.029 . . . . 0.0 112.86 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -57.25 -42.02 80.71 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.059 1.344 . . . . 0.0 111.593 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.1 mtm-85 -68.98 -39.86 79.17 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.845 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.08 -28.03 60.14 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.556 1.071 . . . . 0.0 113.233 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -69.13 -44.53 72.15 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.058 0.844 . . . . 0.0 111.295 170.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.03 -34.68 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 120.971 -1.081 . . . . 0.0 111.548 171.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -27.13 68.0 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.2 t -71.51 -45.16 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 120.374 1.443 . . . . 0.0 111.223 169.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -66.66 -17.73 65.0 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.3 p -114.46 -6.48 12.86 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.593 1.557 . . . . 0.0 113.57 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.3 t30 55.23 32.36 18.37 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.372 1.869 . . . . 0.0 114.748 -168.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.78 -179.28 7.25 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.578 1.551 . . . . 0.0 111.191 167.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 p -106.1 154.29 20.86 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.417 1.487 . . . . 0.0 110.507 157.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -51.21 -46.66 62.3 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -172.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.83 66.87 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -71.43 -39.87 70.76 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.863 -1.148 . . . . 0.0 111.177 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.22 -46.07 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.647 0.779 . . . . 0.0 109.896 169.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -60.99 -42.64 98.81 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.935 0.894 . . . . 0.0 112.991 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.49 -50.04 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.973 1.309 . . . . 0.0 110.475 174.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -55.68 -41.51 73.83 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.513 0.597 . . . . 0.0 112.302 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -66.67 -45.78 77.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.192 0.997 . . . . 0.0 113.407 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -70.01 -34.24 73.05 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.716 1.144 . . . . 0.0 112.412 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -65.76 -31.13 71.93 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.27 0.941 . . . . 0.0 111.716 170.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 CA-C-N 119.41 1.005 . . . . 0.0 112.156 169.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.0 p -55.88 -40.89 73.63 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.977 -1.077 . . . . 0.0 112.17 173.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -68.46 -31.37 70.62 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.38 -45.95 68.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.368 0.667 . . . . 0.0 111.019 170.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.02 -37.06 84.94 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -174.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.81 -43.2 85.56 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -171.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -77.54 -22.85 50.46 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.187 -0.946 . . . . 0.0 113.241 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.9 mt -74.48 -53.08 10.21 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.221 1.409 . . . . 0.0 111.39 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.4 -38.16 89.15 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.775 0.716 . . . . 0.0 112.016 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -32.79 72.51 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.1 m -72.79 -46.03 55.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.781 0.432 . . . . 0.0 110.813 171.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -59.65 -26.69 65.73 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.818 0.847 . . . . 0.0 113.281 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.67 -12.41 61.54 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.519 1.528 . . . . 0.0 114.741 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -129.69 -22.11 3.01 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -157.08 108.29 2.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.184 1.794 . . . . 0.0 109.928 -176.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -86.51 2.95 46.12 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -138.94 46.17 1.09 Allowed Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 125.105 1.362 . . . . 0.0 113.451 -171.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -60.24 129.31 29.42 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.783 2.322 . . . . 0.0 112.176 -173.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -64.3 154.61 34.73 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.15 1.78 . . . . 0.0 112.131 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 ptp -43.24 -41.28 3.82 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -78.0 -33.23 51.37 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.339 0.972 . . . . 0.0 113.192 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -70.68 -39.02 73.76 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.12 0.968 . . . . 0.0 111.378 166.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -65.98 -37.87 87.08 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.266 1.827 . . . . 0.0 112.476 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -76.44 -24.52 53.93 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.8 -42.81 81.02 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.943 1.247 . . . . 0.0 111.038 169.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.59 -35.14 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.751 -0.593 . . . . 0.0 110.116 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.0 -30.32 70.39 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 171.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.52 -47.64 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.611 1.55 . . . . 0.0 110.671 169.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -62.67 -34.71 77.67 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.829 0.741 . . . . 0.0 112.592 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.1 p -98.35 -5.23 33.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.486 1.515 . . . . 0.0 114.569 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.06 45.49 20.87 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.277 1.831 . . . . 0.0 113.429 -173.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.9 -162.81 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.927 2.491 . . . . 0.0 110.231 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 p -125.05 158.59 33.38 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.909 2.083 . . . . 0.0 111.069 164.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -49.35 -49.36 44.68 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.753 1.621 . . . . 0.0 113.642 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.18 86.59 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -66.96 -36.69 82.77 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.832 -1.168 . . . . 0.0 112.318 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.12 -40.33 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 122.92 0.488 . . . . 0.0 110.691 168.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -60.29 -43.17 96.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.884 0.873 . . . . 0.0 112.802 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.44 -46.61 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.588 1.155 . . . . 0.0 111.378 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -60.67 -45.23 94.94 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.989 -0.444 . . . . 0.0 111.456 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.1 -44.43 95.71 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -67.29 -41.07 86.05 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.327 0.967 . . . . 0.0 112.047 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.67 -38.4 90.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.027 0.831 . . . . 0.0 112.057 173.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.111 0.481 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -52.76 -37.32 59.33 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.563 1.145 . . . . 0.0 112.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.63 -31.32 71.4 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.34 1.056 . . . . 0.0 113.491 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -79.11 -47.81 15.45 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.865 0.866 . . . . 0.0 110.828 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.2 -36.51 66.02 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.525 1.13 . . . . 0.0 112.408 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.96 -9.66 10.73 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -99.35 -31.9 11.44 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 121.081 1.764 . . . . 0.0 112.631 165.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.4 -46.62 39.09 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.439 -0.788 . . . . 0.0 110.981 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.64 -37.06 73.73 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.39 -0.819 . . . . 0.0 112.548 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.73 -13.82 62.63 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.702 1.201 . . . . 0.0 113.0 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.4 m -89.03 -54.15 4.26 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.409 1.084 . . . . 0.0 110.351 165.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.87 -28.55 66.23 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 114.209 -173.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -9.37 58.79 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 177.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -123.59 -20.59 5.48 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.482 1.513 . . . . 0.0 114.601 174.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -148.94 114.35 5.57 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.128 1.371 . . . . 0.0 111.562 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -70.29 -19.81 63.07 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.475 1.51 . . . . 0.0 113.834 169.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -119.58 54.26 2.75 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.071 1.348 . . . . 0.0 113.034 -167.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -69.35 125.07 11.9 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.613 2.209 . . . . 0.0 110.601 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.93 170.81 11.91 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -175.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.0 ptp -48.97 -32.15 8.64 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 175.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -80.37 -41.7 24.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 118.861 0.755 . . . . 0.0 112.255 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.1 m -59.13 -42.13 89.9 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.99 0.916 . . . . 0.0 110.51 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -68.31 -38.58 81.75 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.415 1.086 . . . . 0.0 112.909 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.6 -28.48 62.81 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.147 1.339 . . . . 0.0 112.962 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.13 -48.22 74.35 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.139 0.881 . . . . 0.0 111.274 168.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.85 -40.89 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.529 -0.732 . . . . 0.0 110.514 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.89 -23.25 67.17 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.8 t -76.19 -51.76 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.724 1.147 . . . . 0.0 110.267 167.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -66.03 -23.0 66.47 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -174.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.8 p -119.75 2.24 11.1 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.8 t30 50.34 44.49 26.6 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.121 1.769 . . . . 0.0 114.999 -170.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.08 -172.84 2.94 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.672 1.189 . . . . 0.0 109.948 168.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 p -112.6 164.85 12.83 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 152.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -52.11 -42.38 63.23 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.323 -0.861 . . . . 0.0 111.403 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.53 81.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.628 0.771 . . . . 0.0 112.767 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -66.17 -41.41 90.36 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.553 1.07 . . . . 0.0 111.628 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.52 -42.89 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 122.945 0.498 . . . . 0.0 110.035 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -59.42 -24.2 63.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.186 1.394 . . . . 0.0 114.027 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.9 t -83.6 -46.04 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.828 1.251 . . . . 0.0 112.316 172.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -61.71 -40.31 94.58 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.79 0.723 . . . . 0.0 112.107 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -65.87 -48.34 71.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.091 0.957 . . . . 0.0 112.785 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -66.98 -25.51 66.35 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.815 1.189 . . . . 0.0 113.299 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -76.02 -26.95 57.15 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 121.052 -1.03 . . . . 0.0 112.89 168.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.121 0 O-C-N 120.344 -1.472 . . . . 0.0 112.821 170.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.3 m -60.6 -36.58 78.92 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.268 -1.52 . . . . 0.0 112.305 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -64.11 -29.1 70.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.858 1.263 . . . . 0.0 113.328 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -80.54 -42.32 22.61 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.086 0.954 . . . . 0.0 111.317 171.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.78 -34.44 77.25 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.089 1.356 . . . . 0.0 112.979 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.05 -22.57 65.86 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 173.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -87.14 -33.54 19.39 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.666 1.575 . . . . 0.0 111.78 171.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.26 -45.12 74.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.321 1.048 . . . . 0.0 111.879 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -72.84 -34.15 66.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.379 -0.826 . . . . 0.0 112.654 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.85 -27.73 66.95 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.685 -0.634 . . . . 0.0 112.502 173.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.1 m -68.89 -53.19 22.54 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.5 0.72 . . . . 0.0 110.54 166.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -54.06 -37.04 63.75 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.921 0.782 . . . . 0.0 112.864 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -63.45 -24.84 68.0 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -106.88 -28.99 9.76 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.925 1.239 . . . . 0.0 113.997 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -151.11 119.27 6.3 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.504 1.522 . . . . 0.0 111.367 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -76.84 -20.25 56.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.59 1.156 . . . . 0.0 113.494 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -141.35 78.91 18.11 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.508 1.523 . . . . 0.0 111.332 -171.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.25 165.29 22.56 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.135 2.557 . . . . 0.0 113.129 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.8 158.49 24.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.733 1.613 . . . . 0.0 112.085 173.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.8 ptm -53.03 -33.44 51.81 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.014 -1.054 . . . . 0.0 113.071 164.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -75.67 -14.43 60.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.69 1.196 . . . . 0.0 113.745 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.2 m -101.01 -40.13 7.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.894 1.678 . . . . 0.0 111.581 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -56.96 -33.03 66.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.442 -0.786 . . . . 0.0 112.511 174.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -70.42 -29.06 65.57 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 173.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -74.95 -45.7 40.54 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.03 1.286 . . . . 0.0 110.643 178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.22 -41.26 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.246 1.018 . . . . 0.0 109.836 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.78 89.91 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.994 0.918 . . . . 0.0 113.31 174.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.35 -38.99 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 119.927 1.24 . . . . 0.0 111.885 173.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -70.67 -29.21 65.48 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.7 p -106.38 -6.86 17.97 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -172.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 t30 69.91 9.65 7.19 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.263 2.225 . . . . 0.0 115.617 -170.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.08 -178.14 1.55 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.949 1.299 . . . . 0.0 111.66 169.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.9 p -119.23 156.55 29.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.57 1.548 . . . . 0.0 110.217 159.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -42.5 -52.0 4.86 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.423 1.889 . . . . 0.0 114.384 -174.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.86 -21.33 66.4 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -83.31 -35.8 24.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.503 1.121 . . . . 0.0 111.54 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.19 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.152 0.581 . . . . 0.0 110.046 166.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -57.51 -43.32 84.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.809 1.244 . . . . 0.0 112.215 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.19 -53.46 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.401 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -59.31 -42.35 91.18 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.751 1.16 . . . . 0.0 111.994 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.31 -54.89 38.09 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.598 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -67.76 -38.24 83.16 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.245 0.93 . . . . 0.0 112.757 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -68.01 -34.85 77.29 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.508 -0.745 . . . . 0.0 112.027 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 117.694 -1.146 . . . . 0.0 113.479 170.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 121.184 0.516 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -65.22 -25.56 67.75 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.836 -1.165 . . . . 0.0 111.055 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -62.75 -38.08 89.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.571 1.148 . . . . 0.0 112.813 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -68.78 -44.94 72.59 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.179 0.9 . . . . 0.0 111.004 172.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.56 -37.26 85.47 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -63.58 -26.35 68.65 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -83.94 -32.64 24.95 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.793 1.179 . . . . 0.0 112.098 171.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.3 mt -67.86 -50.34 57.06 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.916 0.887 . . . . 0.0 111.568 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.98 -40.03 83.18 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.022 0.828 . . . . 0.0 112.263 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.0 79.76 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.936 -0.477 . . . . 0.0 111.634 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.4 m -70.02 -48.05 59.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 118.875 -0.583 . . . . 0.0 111.096 171.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -56.95 -34.83 68.41 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.144 0.978 . . . . 0.0 112.546 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -71.74 -14.32 61.98 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -116.01 -17.81 10.82 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -156.21 120.2 4.44 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.029 1.331 . . . . 0.0 111.348 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -106.39 6.23 30.22 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.399 1.879 . . . . 0.0 113.93 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -136.63 58.87 21.57 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 126.971 2.108 . . . . 0.0 112.091 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.14 159.55 46.29 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.787 2.325 . . . . 0.0 112.565 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -90.47 159.42 16.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.83 1.652 . . . . 0.0 113.155 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.6 ptp -48.02 -40.55 23.09 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 173.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -90.65 -6.06 55.04 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.6 m -86.32 -35.96 19.56 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.665 1.186 . . . . 0.0 110.832 161.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -64.77 -39.76 94.14 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.566 1.147 . . . . 0.0 112.096 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.71 -26.04 61.44 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 174.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -66.88 -47.77 70.8 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.379 0.991 . . . . 0.0 110.987 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.29 -36.55 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.261 0.624 . . . . 0.0 110.35 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.42 -19.21 63.01 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.47 -52.3 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 120.67 1.577 . . . . 0.0 109.81 164.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -59.19 -40.82 86.92 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.634 0.773 . . . . 0.0 112.254 -174.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 p -94.93 -6.48 42.42 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.007 1.323 . . . . 0.0 113.957 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 57.01 32.94 22.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.798 2.039 . . . . 0.0 115.086 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.21 -171.51 3.47 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.174 2.19 . . . . 0.0 111.175 171.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.4 162.81 12.71 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.308 -0.87 . . . . 0.0 109.411 157.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.74 -46.94 64.21 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.827 0.851 . . . . 0.0 111.88 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.26 90.08 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -61.97 -34.15 75.61 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 120.845 -1.159 . . . . 0.0 112.017 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.6 -45.32 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.083 0.953 . . . . 0.0 110.688 173.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -53.44 -40.35 65.15 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.738 1.215 . . . . 0.0 112.029 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -72.43 -36.0 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 127.12 2.168 . . . . 0.0 112.805 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.3 t90 -65.88 -42.69 90.02 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.552 1.069 . . . . 0.0 111.196 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -62.11 -41.77 98.55 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -73.81 -28.79 61.8 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -76.65 -27.94 55.84 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.515 0.598 . . . . 0.0 112.419 170.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 . . . . . 0 N--CA 1.475 0.809 0 O-C-N 120.904 -1.123 . . . . 0.0 113.331 178.419 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.133 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 92.7 p -123.29 -28.68 3.95 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -175.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -104.58 17.42 24.16 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.029 1.332 . . . . 0.0 112.897 -170.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 50.95 -127.62 2.36 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.18 1.392 . . . . 0.0 110.282 -169.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -133.47 139.02 46.44 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.153 0.981 . . . . 0.0 109.815 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -79.18 -57.75 3.57 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.237 0.615 . . . . 0.0 110.85 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 65.59 138.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.26 2.624 . . . . 0.0 114.429 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.473 ' H ' " H4'" ' B' ' 72' ' ' ' DA' 0.272 5.4 p 52.5 -155.96 0.17 Allowed 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.393 2.277 . . . . 0.0 114.813 165.615 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.41 ' H ' ' HB ' ' A' ' 6' ' ' THR . 59.5 m-70 60.87 33.22 20.02 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.22 1.808 . . . . 0.0 115.184 -165.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -67.3 132.71 48.26 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.912 -1.118 . . . . 0.0 109.663 160.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -81.57 151.63 27.61 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.394 0.616 . . . . 0.0 110.67 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -58.41 -29.34 66.01 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.22 -0.925 . . . . 0.0 113.478 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -61.6 -38.0 85.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.62 -0.705 . . . . 0.0 112.035 172.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -64.41 -46.23 84.15 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.408 1.004 . . . . 0.0 110.049 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.06 -36.87 78.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.932 0.893 . . . . 0.0 111.797 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.66 -19.23 65.17 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -95.81 -36.55 11.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.184 1.356 . . . . 0.0 112.227 167.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.5 mt -66.73 -46.21 76.2 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.761 0.825 . . . . 0.0 111.929 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.02 -39.86 75.57 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.078 0.853 . . . . 0.0 112.276 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.05 66.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.93 0.892 . . . . 0.0 112.289 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -87.48 -41.74 13.3 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.74 0.816 . . . . 0.0 111.498 170.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -62.27 -24.04 67.05 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.766 1.227 . . . . 0.0 113.799 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -9.97 59.65 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt-85 -120.97 -21.94 6.35 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.629 1.572 . . . . 0.0 114.646 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -152.75 105.99 3.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.619 1.567 . . . . 0.0 110.45 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -82.06 -14.6 55.61 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -135.41 61.4 44.04 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.95 1.3 . . . . 0.0 112.857 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -69.7 139.24 39.94 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.521 2.814 . . . . 0.0 114.297 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.43 156.91 35.41 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.026 2.13 . . . . 0.0 112.63 169.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 ptp -54.47 -34.52 61.69 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.967 -1.083 . . . . 0.0 113.76 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.2 p -59.1 -27.75 65.86 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.938 1.295 . . . . 0.0 113.205 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.4 m -94.54 -38.25 10.98 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.799 1.639 . . . . 0.0 111.847 173.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -62.76 -31.82 72.85 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.246 -0.909 . . . . 0.0 112.227 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.83 -28.94 63.9 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 171.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.27 -46.66 69.81 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.889 1.222 . . . . 0.0 110.743 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -54.91 -37.71 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.95 0.9 . . . . 0.0 110.727 174.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.76 78.92 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.059 0.944 . . . . 0.0 113.482 173.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.53 -45.15 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 120.029 1.286 . . . . 0.0 110.909 172.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -68.84 -16.24 63.72 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 p -116.04 -10.65 11.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.69 1.596 . . . . 0.0 113.874 -175.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.308 2.9 t30 60.68 28.77 18.48 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 127.73 2.412 . . . . 0.0 115.101 -166.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.82 -168.23 2.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.771 1.628 . . . . 0.0 110.589 169.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 p -130.46 159.06 38.2 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.237 2.215 . . . . 0.0 109.753 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -54.61 -42.07 70.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.7 1.2 . . . . 0.0 113.78 -167.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.52 74.84 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.712 -0.618 . . . . 0.0 112.572 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -65.84 -40.62 91.91 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.062 0.945 . . . . 0.0 110.938 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.16 -44.89 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.701 0.8 . . . . 0.0 110.469 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -62.43 -45.79 91.48 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.624 0.77 . . . . 0.0 112.961 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 m -67.73 -33.14 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 118.394 -0.812 . . . . 0.0 111.573 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -62.97 -47.18 84.29 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.352 0.978 . . . . 0.0 111.166 170.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.38 -45.3 84.62 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.55 -35.01 76.84 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.905 1.23 . . . . 0.0 112.254 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -65.42 -34.16 77.64 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.618 1.099 . . . . 0.0 112.313 169.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -42.86 97.64 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.374 1.443 . . . . 0.0 112.366 176.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -71.09 -42.23 69.58 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.359 174.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.65 88.08 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -92.74 -12.85 30.29 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.065 1.302 . . . . 0.0 113.833 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -55.68 -58.9 5.9 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.382 0.992 . . . . 0.0 109.285 148.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -62.61 -44.76 95.48 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.371 -0.831 . . . . 0.0 113.237 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -75.88 7.77 3.67 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.436 1.495 . . . . 0.0 114.574 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -125.87 -30.62 2.98 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.422 1.489 . . . . 0.0 113.349 168.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -132.1 -19.7 2.51 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -170.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 55.56 -48.9 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 130.944 3.697 . . . . 0.0 116.745 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -133.72 -22.1 1.91 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.697 1.599 . . . . 0.0 113.454 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.5 mt -75.13 128.32 36.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 122.072 0.939 . . . . 0.0 111.155 -168.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.21 149.73 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 126.668 1.987 . . . . 0.0 108.778 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 p -114.4 -30.79 6.46 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.334 1.054 . . . . 0.0 112.878 169.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.4 t0 . . . . . 0 C--O 1.248 0.986 0 C-N-CA 127.356 2.262 . . . . 0.0 114.533 174.091 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.954 0 O5'-C5'-C4' 114.344 2.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O5'-C5'-C4' 115.248 3.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.478 1 O4'-C4'-C3' 109.678 4.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.164 0 O4'-C1'-N19 110.166 2.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 111.889 5.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . 0.473 " H4'" ' H ' ' A' ' 6' ' ' THR . . . . . . . . 0 C5'--C4' 1.536 3.139 0 O4'-C1'-N19 110.075 2.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.948 1 P-O3'-C3' 124.828 4.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.586 1 O4'-C1'-N19 111.717 4.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.255 0 P-O3'-C3' 123.714 3.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.414 0 O4'-C1'-N19 110.115 2.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.405 1 O4'-C1'-N19 111.409 4.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.817 0 O4'-C1'-N19 110.602 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.409 0 O4'-C1'-N19 110.446 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.684 0 O4'-C1'-N19 110.432 3.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 1 O4'-C1'-N19 112.399 5.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.557 0 P-O3'-C3' 123.371 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 1 O4'-C1'-N19 111.377 4.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.665 3.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 1 P-O3'-C3' 125.602 4.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.507 1 O4'-C1'-N19 111.506 4.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 C4'-C3'-O3' 119.083 3.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 P-O3'-C3' 126.862 5.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 1 O4'-C1'-N19 111.259 4.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.11 1 O4'-C1'-N19 111.059 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 P-O3'-C3' 124.983 4.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 0 P-O3'-C3' 123.343 3.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.023 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.4 m 50.05 38.33 16.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.162 1.785 . . . . 0.0 114.09 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -144.46 80.81 1.65 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.622 1.169 . . . . 0.0 111.293 -168.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -145.93 165.75 28.04 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.828 1.651 . . . . 0.0 112.312 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.1 mtp-105 70.28 165.72 0.28 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 160.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -145.43 -175.87 4.89 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 130.48 3.512 . . . . 0.0 107.812 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -147.19 149.43 32.93 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.596 -1.315 . . . . 0.0 110.555 152.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.8 t -136.96 149.01 47.29 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.924 0.89 . . . . 0.0 110.325 160.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -106.68 94.11 4.94 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.651 1.181 . . . . 0.0 108.593 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -59.81 139.87 56.99 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.541 0.737 . . . . 0.0 112.083 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.4 p -100.66 159.96 14.74 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.35 1.06 . . . . 0.0 112.521 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -56.39 -37.64 70.41 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.66 1.184 . . . . 0.0 113.194 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -68.32 -28.61 67.31 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.481 -0.762 . . . . 0.0 112.834 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -75.07 -44.16 49.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.963 0.905 . . . . 0.0 110.736 171.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.62 -34.34 69.19 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.173 0.989 . . . . 0.0 112.783 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -61.58 -17.08 53.51 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -90.15 -38.3 13.6 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.834 1.652 . . . . 0.0 112.464 165.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.15 -47.03 66.11 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.981 0.913 . . . . 0.0 112.057 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.45 -38.47 77.81 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.642 -0.661 . . . . 0.0 112.116 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.78 78.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.891 0.876 . . . . 0.0 112.042 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.9 m -68.26 -49.13 62.67 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.077 0.551 . . . . 0.0 110.698 172.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -56.53 -33.27 65.9 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.31 0.959 . . . . 0.0 113.416 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -72.01 -5.13 32.84 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -136.13 -15.61 1.71 Allowed 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -158.83 119.54 3.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.495 1.918 . . . . 0.0 111.386 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -86.37 -12.45 49.24 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 171.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -131.1 67.47 80.76 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.976 1.31 . . . . 0.0 112.298 -168.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -69.6 132.98 24.73 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.227 2.618 . . . . 0.0 111.566 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -73.81 163.21 28.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.072 1.349 . . . . 0.0 112.734 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -53.13 -33.18 51.23 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 172.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.9 p -75.28 -18.29 60.1 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.777 1.631 . . . . 0.0 113.666 176.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.2 m -102.12 -38.75 7.58 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.657 1.583 . . . . 0.0 111.776 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -61.8 -32.04 72.31 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.218 -0.926 . . . . 0.0 111.945 173.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.85 -31.51 64.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 117.915 -1.04 . . . . 0.0 113.684 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -65.15 -48.7 72.6 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.043 1.292 . . . . 0.0 110.36 170.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.3 mt -55.21 -40.37 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.74 0.816 . . . . 0.0 110.706 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.18 -30.75 70.79 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.86 -54.58 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 120.202 1.365 . . . . 0.0 110.116 170.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -64.35 -23.56 67.34 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -108.41 3.01 22.82 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.927 1.691 . . . . 0.0 114.485 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.1 t30 53.18 40.23 30.92 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.045 1.738 . . . . 0.0 114.36 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.1 -178.01 3.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.466 1.906 . . . . 0.0 111.331 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.2 p -114.67 158.45 21.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.813 1.245 . . . . 0.0 109.496 153.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -62.67 -30.3 71.29 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.558 -1.339 . . . . 0.0 113.289 -169.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.35 -41.03 68.65 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.947 0.899 . . . . 0.0 112.326 173.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 mmm-85 -71.17 -32.28 68.72 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.654 -0.654 . . . . 0.0 111.904 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.09 -42.68 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.353 0.661 . . . . 0.0 110.678 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -63.56 -43.84 95.86 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.864 1.265 . . . . 0.0 111.722 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 t -56.49 -47.18 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.9 1.68 . . . . 0.0 111.34 170.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -62.45 -46.23 89.49 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.783 0.72 . . . . 0.0 111.581 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -63.58 -49.21 74.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.706 0.684 . . . . 0.0 112.682 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -34.03 74.78 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.807 1.185 . . . . 0.0 112.903 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -73.51 -22.85 60.01 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 120.773 -1.204 . . . . 0.0 112.856 170.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -71.08 -20.43 62.35 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.278 -1.514 . . . . 0.0 111.924 166.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -80.22 -40.21 27.57 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.813 1.188 . . . . 0.0 111.521 165.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.48 -45.59 80.85 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.565 0.621 . . . . 0.0 112.236 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -50.76 -47.38 59.55 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.943 1.297 . . . . 0.0 111.944 175.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -62.11 -48.63 79.28 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.185 0.994 . . . . 0.0 112.187 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -67.36 -38.99 85.68 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.449 -0.782 . . . . 0.0 112.488 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -73.4 -36.44 66.03 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.625 1.57 . . . . 0.0 113.815 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -93.14 -41.05 10.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.899 1.28 . . . . 0.0 113.831 -173.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -122.4 -13.36 8.06 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 61.16 -39.45 0.11 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 128.444 2.698 . . . . 0.0 116.001 -172.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -148.95 -19.97 0.3 Allowed 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.234 1.379 . . . . 0.0 114.34 171.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.5 mt -77.57 138.7 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 119.241 0.928 . . . . 0.0 111.368 -172.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 p -149.4 136.22 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.256 1.022 . . . . 0.0 111.572 170.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.9 p -128.85 107.81 9.94 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.709 1.203 . . . . 0.0 109.412 165.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 0.992 0 C-N-CA 125.179 1.391 . . . . 0.0 113.781 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.009 0 O5'-C5'-C4' 114.826 3.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.788 0 O4'-C4'-C3' 108.659 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 113.469 7.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 0 O4'-C1'-N19 109.531 2.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.425 1 O4'-C1'-N19 111.69 4.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.428 0 O5'-C5'-C4' 115.541 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.465 0 P-O3'-C3' 123.543 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 0 O5'-C5'-C4' 115.307 3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.455 0 P-O3'-C3' 124.153 3.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 0 O4'-C1'-N19 110.178 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 P-O3'-C3' 123.907 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.367 0 C3'-C2'-C1' 105.903 2.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.36 1 O4'-C1'-N19 111.592 4.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.324 0 O4'-C4'-C3' 108.672 3.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 112.725 6.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.239 0 O5'-C5'-C4' 114.345 2.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.883 0 O5'-C5'-C4' 114.598 3.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 0 O4'-C4'-C3' 108.61 3.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 1 P-O3'-C3' 125.439 4.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.085 1 O4'-C1'-N19 111.171 4.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.999 1 O5'-C5'-C4' 115.906 4.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O5'-C5'-C4' 115.29 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 1 O4'-C1'-N19 112.471 5.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 1 P-O3'-C3' 124.61 4.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.824 0 O4'-C1'-N19 110.354 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 1 P-O3'-C3' 124.997 4.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.999 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.6 t -155.13 168.98 25.21 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.12 1.768 . . . . 0.0 111.38 173.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 48.82 35.43 6.51 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.444 1.898 . . . . 0.0 114.203 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -144.13 159.57 42.4 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.392 1.877 . . . . 0.0 111.218 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -123.85 -171.9 2.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.444 1.898 . . . . 0.0 110.088 169.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -138.73 167.93 20.91 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.079 1.352 . . . . 0.0 110.081 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -129.25 -165.77 1.56 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.009 1.324 . . . . 0.0 111.345 168.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 8' ' ' PHE . 2.6 m -69.56 143.01 53.48 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -144.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -144.46 37.48 1.23 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.273 1.829 . . . . 0.0 112.026 161.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.465 ' H ' HG23 ' A' ' 6' ' ' THR . 21.4 m-85 -85.43 99.49 11.23 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 120.544 -1.348 . . . . 0.0 109.291 173.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.5 p -82.51 163.91 21.24 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.213 1.005 . . . . 0.0 111.404 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 m -66.11 -17.51 64.76 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.918 -1.114 . . . . 0.0 113.286 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -70.07 -35.14 74.01 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.934 -1.104 . . . . 0.0 111.049 168.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -80.56 -48.49 12.64 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.631 0.773 . . . . 0.0 111.6 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.5 -36.72 79.03 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.398 1.079 . . . . 0.0 112.694 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -66.39 -24.46 66.48 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -77.73 -40.43 41.17 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.525 1.057 . . . . 0.0 110.656 170.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 mt -71.48 -48.92 46.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.918 1.687 . . . . 0.0 112.862 -175.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.9 -39.01 83.67 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.109 0.868 . . . . 0.0 112.626 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.13 77.49 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.893 -0.504 . . . . 0.0 111.048 175.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.2 m -66.08 -45.81 79.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.737 0.415 . . . . 0.0 111.126 169.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -58.72 -36.84 74.93 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.203 0.911 . . . . 0.0 112.579 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -70.58 -8.89 54.96 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -115.29 -23.66 8.81 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 172.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -156.64 113.55 3.1 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.008 1.723 . . . . 0.0 110.382 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.5 mtm-85 -78.38 -9.5 59.3 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -134.5 54.05 10.89 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.098 1.359 . . . . 0.0 113.622 -164.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -62.08 134.86 51.61 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.962 2.441 . . . . 0.0 113.091 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.69 165.45 25.04 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.65 1.58 . . . . 0.0 112.872 176.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -51.13 -33.13 25.31 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -77.29 -31.95 55.11 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.58 0.752 . . . . 0.0 112.368 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.4 m -76.56 -40.34 50.07 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.313 -0.867 . . . . 0.0 111.371 171.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -63.46 -32.84 74.4 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.06 -1.025 . . . . 0.0 112.293 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.89 -29.03 50.02 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.89 -44.69 88.79 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.512 1.505 . . . . 0.0 111.515 170.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.8 mt -55.7 -39.4 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.41 0.684 . . . . 0.0 110.25 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.24 -22.25 62.92 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 175.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.3 t -76.87 -38.48 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 120.472 1.487 . . . . 0.0 111.14 169.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -69.3 -43.9 72.88 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.098 0.863 . . . . 0.0 112.108 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -88.2 -6.89 57.58 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 t30 53.74 37.6 26.6 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.803 1.241 . . . . 0.0 113.644 -170.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -102.09 -154.19 0.48 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.214 1.806 . . . . 0.0 110.194 174.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.47 149.37 45.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.622 1.569 . . . . 0.0 110.99 174.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -50.23 -47.36 54.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.605 1.562 . . . . 0.0 114.857 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.66 -27.4 65.96 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.593 1.088 . . . . 0.0 112.386 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -65.24 -38.27 89.84 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.967 -1.083 . . . . 0.0 111.025 171.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.73 -39.24 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.713 0.805 . . . . 0.0 110.794 171.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -58.13 -48.25 80.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.984 1.314 . . . . 0.0 111.83 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 m -74.87 -23.53 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -65.18 -51.16 62.79 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.302 0.956 . . . . 0.0 110.461 167.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.71 -41.08 98.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 118.532 -0.747 . . . . 0.0 112.745 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -61.96 -42.33 99.0 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.556 1.071 . . . . 0.0 112.623 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -75.71 -26.62 57.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.454 0.57 . . . . 0.0 112.395 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -45.41 90.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.643 0.656 . . . . 0.0 112.098 169.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.8 mtm-85 -67.26 -42.47 83.85 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.372 0.669 . . . . 0.0 111.881 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.01 -16.84 63.82 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -56.41 -38.19 71.19 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.243 1.383 . . . . 0.0 112.047 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -51.78 -39.05 57.97 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.731 1.612 . . . . 0.0 112.556 170.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.5 mmm-85 -87.43 -38.28 16.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.933 1.293 . . . . 0.0 112.782 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -89.46 -18.46 26.69 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -116.31 -20.43 9.76 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.447 1.499 . . . . 0.0 113.459 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -133.05 -0.14 3.4 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 -176.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 58.13 -49.86 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 128.772 2.829 . . . . 0.0 116.231 -172.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -160.44 -3.61 0.06 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.316 2.247 . . . . 0.0 113.07 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.8 mt -75.42 129.33 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 121.136 -0.978 . . . . 0.0 110.546 -172.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.8 p -159.6 152.29 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 126.307 1.843 . . . . 0.0 109.526 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.7 p -69.52 135.46 50.13 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.2 0.909 . . . . 0.0 110.974 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.0 p30 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 125.141 1.377 . . . . 0.0 114.67 -178.384 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.292 0 O4'-C4'-C3' 108.273 2.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 P-O3'-C3' 124.222 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C4'-C3' 107.966 2.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.426 0 N19-C1'-C2' 118.61 2.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.304 1 O4'-C1'-N19 111.58 4.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.809 1 O5'-C5'-C4' 115.82 4.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.409 1 O5'-C5'-C4' 117.388 5.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.896 0 P-O3'-C3' 124.496 3.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 1 P-O3'-C3' 124.644 4.12 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.225 1 O4'-C1'-N19 111.135 4.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.166 0 C3'-C2'-C1' 106.133 2.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.621 1 P-O3'-C3' 125.041 4.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.339 1 O4'-C1'-N19 111.106 4.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 0 O4'-C1'-N19 109.547 2.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 112.741 6.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 P-O3'-C3' 123.065 2.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 0 O4'-C1'-N19 110.191 2.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.937 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.333 0 P-O3'-C3' 124.089 3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 0 O5'-C5'-C4' 114.46 3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 P-O3'-C3' 122.961 2.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.364 0 O5'-C5'-C4' 115.336 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O5'-C5'-C4' 114.989 3.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.008 0 O5'-C5'-C4' 114.026 2.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.611 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.155 2.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.379 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.1 m -131.02 -4.6 3.95 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.077 1.751 . . . . 0.0 114.611 -174.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . 0.261 16.8 tp60 52.04 39.84 27.2 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.803 2.441 . . . . 0.0 116.442 173.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -132.11 157.16 44.94 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.505 1.922 . . . . 0.0 111.591 171.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -113.91 144.73 42.57 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.494 1.118 . . . . 0.0 112.236 174.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -52.42 -59.94 3.82 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.371 0.669 . . . . 0.0 111.043 174.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.359 61.7 mtp85 57.24 169.58 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 130.395 3.478 . . . . 0.0 116.969 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -47.25 131.08 13.2 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 127.183 2.193 . . . . 0.0 114.473 -146.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -147.33 58.51 1.15 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.771 0.829 . . . . 0.0 110.425 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -129.34 158.4 39.21 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -162.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.0 p -140.3 160.4 40.06 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.843 1.657 . . . . 0.0 112.075 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -55.33 -35.77 65.52 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.64 -0.662 . . . . 0.0 112.426 174.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -62.21 -30.55 71.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.434 0.694 . . . . 0.0 112.843 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -82.23 -47.38 12.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.827 0.851 . . . . 0.0 111.378 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.54 -28.46 69.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.285 1.034 . . . . 0.0 113.423 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -49.43 -39.48 33.07 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.031 1.732 . . . . 0.0 113.311 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -82.29 -25.95 33.53 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.951 0.796 . . . . 0.0 112.665 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -75.34 -45.94 36.33 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.085 0.954 . . . . 0.0 110.996 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -65.42 -39.46 92.15 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.772 0.714 . . . . 0.0 112.255 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.82 -32.74 74.35 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.1 m -76.58 -44.72 33.42 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.472 0.709 . . . . 0.0 111.129 174.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -56.74 -35.89 69.11 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.251 1.02 . . . . 0.0 112.866 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.93 -16.27 49.58 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -123.82 -30.51 3.54 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -147.22 118.71 7.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.824 1.25 . . . . 0.0 110.279 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -93.95 -6.52 45.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.32 1.048 . . . . 0.0 113.223 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -131.06 63.13 69.25 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.054 1.341 . . . . 0.0 113.49 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -71.68 133.56 22.35 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 123.541 2.827 . . . . 0.0 112.947 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.41 152.49 29.56 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.025 1.33 . . . . 0.0 112.832 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.5 ptp -47.02 -37.65 9.61 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.022 1.329 . . . . 0.0 114.137 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 t -69.74 -35.02 74.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.19 0.596 . . . . 0.0 111.896 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m -74.56 -36.72 63.08 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.057 0.943 . . . . 0.0 111.519 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -61.25 -37.61 83.7 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 118.519 -0.753 . . . . 0.0 112.076 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -73.8 -30.83 62.95 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.54 -45.06 92.29 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.517 1.508 . . . . 0.0 110.946 170.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.8 mt -57.29 -36.56 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.443 -0.786 . . . . 0.0 111.042 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.98 -19.21 61.26 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.73 -42.36 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 120.347 1.43 . . . . 0.0 110.027 166.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -65.14 -45.31 85.57 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.236 0.614 . . . . 0.0 111.652 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 p -98.99 0.71 44.45 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -172.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 58.07 43.85 20.27 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.396 1.479 . . . . 0.0 113.263 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mp -105.63 -158.15 0.65 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.167 2.187 . . . . 0.0 110.367 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.9 p -129.47 168.06 16.9 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.919 1.287 . . . . 0.0 109.414 157.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -49.94 -45.91 51.68 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.615 -0.678 . . . . 0.0 112.268 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.04 99.55 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.487 0.715 . . . . 0.0 112.045 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -62.42 -36.75 83.35 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.248 -0.908 . . . . 0.0 112.737 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.65 -44.45 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.003 0.521 . . . . 0.0 110.382 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -56.07 -47.75 77.39 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.598 1.159 . . . . 0.0 112.237 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.37 -36.68 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 118.892 -0.575 . . . . 0.0 112.105 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -60.67 -38.19 84.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.819 0.736 . . . . 0.0 112.058 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -71.11 -47.27 59.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.284 -0.865 . . . . 0.0 113.216 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -64.74 -35.8 82.22 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 120.68 1.582 . . . . 0.0 112.124 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -65.98 -24.35 66.76 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.543 -0.723 . . . . 0.0 112.804 170.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -32.44 72.43 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.859 1.209 . . . . 0.0 113.658 178.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -83.01 -38.99 21.87 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.29 -31.17 65.36 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.816 -0.553 . . . . 0.0 111.916 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -43.26 -52.74 5.56 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.446 2.298 . . . . 0.0 113.79 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -70.55 -31.26 68.23 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.783 0.719 . . . . 0.0 111.308 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -70.5 -29.45 65.96 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.409 -0.807 . . . . 0.0 112.655 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -68.35 -42.05 79.79 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.663 1.185 . . . . 0.0 112.881 172.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -96.3 -36.67 10.81 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -172.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -131.43 -1.18 3.95 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -165.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 58.6 -45.69 0.06 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 129.897 3.279 . . . . 0.0 117.327 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -139.98 -9.87 1.16 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -176.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.2 mt -86.7 104.25 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 120.857 -1.152 . . . . 0.0 109.79 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.8 -20.48 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 125.263 1.425 . . . . 0.0 114.407 -173.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.8 m 65.42 -34.31 0.18 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 128.78 2.832 . . . . 0.0 117.129 166.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.253 1.263 0 CA-C-N 120.881 1.673 . . . . 0.0 112.533 173.735 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.263 0 O5'-C5'-C4' 114.452 3.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 1 P-O3'-C3' 124.938 4.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C4'-C3' 108.651 3.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.364 0 O4'-C4'-C3' 108.344 2.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.195 4.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.87 0 P-O3'-C3' 123.167 2.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.449 0 P-O3'-C3' 123.995 3.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.088 1 O4'-C1'-N19 112.817 6.271 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.86 0 O5'-C5'-C4' 114.873 3.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 P-O3'-C3' 123.639 3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.467 0 O4'-C1'-N19 110.89 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C4'-C3' 108.997 3.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.18 1 O4'-C1'-N19 112.713 6.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.196 1 O4'-C1'-N19 112.417 5.771 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 1 O4'-C1'-N19 112.444 5.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.058 0 P-O3'-C3' 123.411 3.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.271 1 O4'-C1'-N19 112.278 5.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 O4'-C1'-C2' 103.208 -2.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.788 1 P-O3'-C3' 127.403 6.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.434 0 P-O3'-C3' 123.614 3.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.779 0 P-O3'-C3' 124.048 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.458 0 O4'-C4'-C3' 107.738 2.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.451 0 O4'-C1'-N19 110.369 3.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.263 1 P-O3'-C3' 125.111 4.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 112.885 6.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 68.9 m -133.37 144.44 49.59 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.721 1.208 . . . . 0.0 110.306 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -89.68 112.86 24.24 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.924 0.89 . . . . 0.0 109.358 -174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -123.24 -44.07 2.17 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.826 2.05 . . . . 0.0 112.739 -171.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -81.51 159.66 24.12 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.8 1.64 . . . . 0.0 112.101 -166.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -146.5 174.35 11.48 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.722 1.609 . . . . 0.0 110.0 -169.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -125.68 -164.82 1.34 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.838 1.255 . . . . 0.0 110.581 163.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -35.48 126.71 0.63 Allowed 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 -156.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -130.22 40.47 3.53 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.596 1.558 . . . . 0.0 111.408 167.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -123.21 134.27 54.15 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.561 1.544 . . . . 0.0 111.887 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 p -97.23 160.15 14.5 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.491 1.117 . . . . 0.0 111.506 173.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 m -61.52 -36.17 79.78 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.511 -1.368 . . . . 0.0 112.566 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.64 -29.03 69.01 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.481 -0.762 . . . . 0.0 112.456 172.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -78.21 -47.82 17.18 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.097 0.862 . . . . 0.0 110.95 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.53 -41.68 86.03 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.132 0.973 . . . . 0.0 112.496 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -61.03 -30.43 70.31 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -86.73 -29.34 22.46 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.556 1.071 . . . . 0.0 112.359 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.84 -45.05 75.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.643 0.777 . . . . 0.0 111.341 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -68.49 -37.83 80.47 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.319 -0.863 . . . . 0.0 112.888 174.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -20.02 66.24 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.874 0.87 . . . . 0.0 112.58 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -84.2 -49.45 8.81 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.572 1.149 . . . . 0.0 111.19 168.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.87 -36.32 74.42 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.286 -0.884 . . . . 0.0 112.823 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -4.84 16.9 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 176.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -118.47 -24.26 6.88 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 167.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -151.9 113.66 4.41 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.295 1.038 . . . . 0.0 112.313 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -80.73 -11.16 59.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.7 1.2 . . . . 0.0 114.082 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -143.34 56.39 4.59 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.384 1.474 . . . . 0.0 114.272 -169.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -61.23 141.98 94.91 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.176 2.584 . . . . 0.0 112.991 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.46 154.7 31.42 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.901 1.28 . . . . 0.0 112.374 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 ptm -49.53 -40.2 37.13 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.141 0.976 . . . . 0.0 113.129 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -74.14 -17.47 60.92 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.5 m -92.9 -39.72 11.0 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.091 1.756 . . . . 0.0 111.545 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -57.74 -35.12 70.28 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.048 0.939 . . . . 0.0 112.136 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.9 -18.03 60.48 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.96 -44.1 27.8 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 120.575 1.534 . . . . 0.0 110.984 169.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.9 mt -56.08 -33.94 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.193 0.997 . . . . 0.0 110.681 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.33 -20.37 66.07 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.68 -53.56 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 120.462 1.483 . . . . 0.0 110.614 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -61.94 -38.55 88.87 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.899 0.879 . . . . 0.0 111.137 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -86.76 -8.47 57.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.971 1.709 . . . . 0.0 114.218 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.4 t30 59.95 24.84 13.97 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 125.219 1.407 . . . . 0.0 114.17 -173.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.74 -173.64 4.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.074 1.75 . . . . 0.0 111.931 171.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.0 m -124.73 151.93 44.43 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.377 2.271 . . . . 0.0 107.801 165.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -47.54 -45.5 26.84 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 120.338 1.426 . . . . 0.0 114.658 -172.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.43 72.38 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -65.71 -40.29 92.07 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.192 0.997 . . . . 0.0 111.022 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.45 -41.85 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.79 0.836 . . . . 0.0 110.296 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -59.96 -45.16 93.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.821 1.248 . . . . 0.0 112.499 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.0 -49.03 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.214 1.006 . . . . 0.0 110.698 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -61.88 -39.04 90.53 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.98 -44.51 65.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.015 0.926 . . . . 0.0 112.815 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -65.56 -33.56 76.2 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.959 1.254 . . . . 0.0 112.08 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -68.66 -36.77 78.99 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.289 0.95 . . . . 0.0 113.258 170.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -36.62 76.95 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.621 1.1 . . . . 0.0 112.198 173.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -74.71 -46.0 40.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.224 1.009 . . . . 0.0 111.717 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.4 -30.11 62.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.641 -1.287 . . . . 0.0 113.712 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -50.03 -43.01 50.65 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.198 1.799 . . . . 0.0 112.924 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -34.18 77.65 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.233 0.924 . . . . 0.0 111.879 -177.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -70.75 -42.07 70.97 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.757 -0.589 . . . . 0.0 111.763 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.96 -24.57 66.82 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.675 1.19 . . . . 0.0 112.592 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -90.18 -46.67 8.29 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.581 1.552 . . . . 0.0 114.117 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -134.78 9.12 3.59 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -165.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 62.55 -55.59 0.15 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.211 2.204 . . . . 0.0 114.837 -165.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -137.32 -21.83 1.17 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -173.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.0 mt -72.03 118.55 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 119.514 1.052 . . . . 0.0 110.772 -168.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 p -156.32 148.53 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.493 1.517 . . . . 0.0 111.283 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.17 149.77 51.72 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.76 1.224 . . . . 0.0 111.319 169.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 127.889 2.476 . . . . 0.0 113.179 -173.806 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 109.81 2.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.981 1 O4'-C4'-C3' 109.636 4.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.846 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.693 0 O5'-C5'-C4' 114.94 3.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.692 0 N19-C1'-C2' 119.351 3.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.016 0 P-O3'-C3' 123.179 2.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.758 0 O5'-C5'-C4' 113.638 2.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.332 1 O4'-C1'-N19 111.15 4.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.898 0 P-O3'-C3' 124.481 3.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 0 O4'-C4'-C3' 108.807 3.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.381 4.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.652 0 O5'-C5'-C4' 114.198 2.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 1 O4'-C1'-N19 113.315 6.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.576 2 O4'-C1'-N19 113.474 7.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.948 1 O4'-C1'-N19 111.995 5.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 P-O3'-C3' 123.462 3.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.957 2 O4'-C1'-N19 112.427 5.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.909 0 O4'-C4'-C3' 109.029 3.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.28 1 P-O3'-C3' 126.401 5.584 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.892 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.315 0 O4'-C1'-N19 110.525 3.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.332 0 O4'-C4'-C3' 109.014 3.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 112.715 6.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.379 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 0 P-O3'-C3' 123.899 3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.412 0 O5'-C5'-C4' 114.892 3.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.012 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.1 t -137.23 144.69 42.91 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.357 1.063 . . . . 0.0 112.594 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -131.39 144.19 51.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.766 1.626 . . . . 0.0 110.697 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 -75.82 127.51 33.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.577 0.751 . . . . 0.0 110.299 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -74.58 164.71 26.27 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.191 0.905 . . . . 0.0 111.734 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -83.1 -25.67 31.77 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -174.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 32.5 96.2 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 129.41 3.084 . . . . 0.0 115.098 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -90.86 -178.83 5.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.687 1.195 . . . . 0.0 113.66 168.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -135.74 148.88 48.99 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.535 2.334 . . . . 0.0 109.431 166.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -114.12 133.69 55.4 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.706 0.802 . . . . 0.0 113.115 -168.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.0 p -76.59 155.55 33.47 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.201 0.524 . . . . 0.0 111.476 173.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 m -60.25 -30.08 69.2 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.405 -0.809 . . . . 0.0 112.583 172.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -67.95 -42.34 81.11 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.273 1.397 . . . . 0.0 112.766 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -58.13 -42.95 86.92 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.05 1.295 . . . . 0.0 110.307 173.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.77 -34.85 78.73 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.828 0.851 . . . . 0.0 113.125 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -70.63 -10.1 58.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -93.9 -38.19 11.33 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.847 1.203 . . . . 0.0 111.602 163.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.2 mt -69.49 -51.14 38.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.062 1.345 . . . . 0.0 112.45 -177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.54 -37.62 74.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.53 1.132 . . . . 0.0 111.984 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.04 79.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.345 0.658 . . . . 0.0 111.601 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.7 m -71.47 -47.02 58.27 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.803 -0.561 . . . . 0.0 111.293 170.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -56.47 -36.91 69.62 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.03 0.932 . . . . 0.0 112.903 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.35 -0.85 13.45 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -130.72 -18.6 3.07 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 170.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -149.37 90.15 1.7 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.439 1.896 . . . . 0.0 109.197 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -72.44 -18.2 61.72 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.826 1.251 . . . . 0.0 113.237 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -130.01 66.37 77.56 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 126.15 1.78 . . . . 0.0 111.269 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -71.34 175.39 9.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.59 2.86 . . . . 0.0 113.85 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.87 157.25 17.61 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.106 1.762 . . . . 0.0 113.445 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -54.89 -30.75 58.92 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -79.19 -39.18 34.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.752 0.705 . . . . 0.0 111.258 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.2 m -64.57 -40.15 95.03 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.846 -1.159 . . . . 0.0 111.788 169.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -64.63 -36.35 83.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.339 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.68 -30.23 61.5 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.088 1.313 . . . . 0.0 113.826 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.76 -46.01 76.74 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.844 1.202 . . . . 0.0 110.901 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.99 -31.83 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.606 -0.684 . . . . 0.0 111.166 173.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.93 -32.94 74.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 118.475 -0.774 . . . . 0.0 112.985 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.45 -48.27 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 119.908 1.231 . . . . 0.0 110.295 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -65.87 -26.8 67.8 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.3 p -109.39 -2.48 17.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.862 1.665 . . . . 0.0 114.275 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t30 55.93 41.35 30.02 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.902 1.681 . . . . 0.0 114.336 -172.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.88 -169.3 1.66 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.519 1.927 . . . . 0.0 109.929 171.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.9 p -117.65 162.9 17.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.736 1.214 . . . . 0.0 110.423 158.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -47.64 -46.25 28.64 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.918 0.887 . . . . 0.0 112.7 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.12 80.96 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.467 0.707 . . . . 0.0 111.809 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -66.78 -35.09 79.28 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 120.982 -1.074 . . . . 0.0 112.911 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.8 t -65.86 -42.08 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.754 0.706 . . . . 0.0 110.864 172.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -62.61 -43.39 98.93 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.279 1.032 . . . . 0.0 111.902 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.18 -44.27 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.269 1.428 . . . . 0.0 111.149 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -60.57 -45.3 94.43 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.455 0.57 . . . . 0.0 111.905 174.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.78 -44.89 95.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.786 0.721 . . . . 0.0 112.473 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -67.62 -36.23 80.42 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.127 0.876 . . . . 0.0 112.428 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -68.86 -36.74 78.5 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.593 1.088 . . . . 0.0 113.46 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -66.42 -37.01 84.24 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.326 1.421 . . . . 0.0 111.736 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 mtm-85 -70.82 -40.95 72.15 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.175 0.898 . . . . 0.0 112.304 170.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.86 -18.0 65.17 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.41 -0.806 . . . . 0.0 113.07 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.82 -41.22 63.98 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.507 1.123 . . . . 0.0 111.43 175.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 -31.28 68.54 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -79.77 -32.93 40.99 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.649 -1.282 . . . . 0.0 111.947 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.83 -43.19 47.14 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.926 1.29 . . . . 0.0 112.456 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.63 -9.02 58.73 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.884 1.673 . . . . 0.0 113.791 166.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 68.72 112.85 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.106 2.962 . . . . 0.0 115.913 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -85.84 -44.9 12.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.837 0.855 . . . . 0.0 111.072 161.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -145.13 -13.5 0.53 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.73 137.16 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 120.296 1.407 . . . . 0.0 108.954 164.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.0 p -149.06 153.84 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.493 -0.754 . . . . 0.0 113.009 -173.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 t -145.76 178.78 7.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.205 2.202 . . . . 0.0 110.966 172.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.027 1.331 . . . . 0.0 113.601 -177.28 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.503 1 O5'-C5'-C4' 116.025 4.161 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.414 1 P-O3'-C3' 124.776 4.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.049 2.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O5'-C5'-C4' 115.384 3.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O5'-C5'-C4' 114.683 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.345 0 O5'-C5'-C4' 115.207 3.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O5'-C5'-C4' 114.805 3.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.385 2 O4'-C1'-N19 111.622 4.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.74 1 O4'-C1'-N19 111.968 5.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.824 1 O4'-C1'-N19 111.321 4.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.059 0 O4'-C1'-N19 110.558 3.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 1 P-O3'-C3' 125.575 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.855 1 O4'-C1'-N19 111.241 4.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 O4'-C1'-N19 109.687 2.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.245 1 O4'-C1'-N19 112.451 5.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.242 0 O5'-C5'-C4' 114.463 3.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C4'-C3' 107.577 1.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.309 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 P-O3'-C3' 124.822 4.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.054 1 O4'-C1'-N19 111.257 4.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.301 0 O4'-C4'-C3' 108.659 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.207 3.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . 0.42 " H1'" ' C8 ' ' C' ' 90' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.386 1 O4'-C1'-N19 112.574 5.968 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . 0.42 ' C8 ' " H1'" ' C' ' 89' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C4'-C3' 108.202 2.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.425 0 O4'-C4'-C3' 108.71 3.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.757 0 P-O3'-C3' 123.117 2.847 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.1 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 94.2 p -161.17 164.9 30.22 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.128 0.964 . . . . 0.0 113.356 -173.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 58.5 50.64 8.98 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.542 1.537 . . . . 0.0 113.286 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -73.73 138.2 44.49 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.293 -0.879 . . . . 0.0 112.097 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -90.97 157.9 17.03 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.83 1.252 . . . . 0.0 112.458 171.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.382 0.2 OUTLIER 54.97 150.85 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 119.405 3.113 . . . . 0.0 119.405 162.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.306 12.4 mtt-85 67.46 174.36 0.26 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.968 2.107 . . . . 0.0 115.507 -178.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -82.61 146.04 29.36 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -118.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.493 ' CG ' HH12 ' A' ' 44' ' ' ARG . 18.1 m-70 -103.61 25.29 9.91 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.975 2.11 . . . . 0.0 112.782 166.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -127.79 149.67 50.15 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -161.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.7 p -114.73 164.31 14.25 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.819 2.047 . . . . 0.0 111.424 166.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -56.14 -38.61 71.08 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.382 -0.824 . . . . 0.0 111.808 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -58.19 -35.69 71.99 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.667 1.187 . . . . 0.0 113.076 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -76.44 -43.5 39.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.62 0.768 . . . . 0.0 111.202 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.19 -32.96 72.71 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.25 -22.74 67.06 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -91.43 -32.91 15.45 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.34 1.427 . . . . 0.0 112.356 170.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.34 -49.65 68.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.309 1.043 . . . . 0.0 111.101 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -70.94 -34.15 71.19 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.467 -0.771 . . . . 0.0 112.936 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.42 75.93 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.561 -0.712 . . . . 0.0 112.274 173.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -71.15 -41.03 70.94 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.158 0.583 . . . . 0.0 110.971 170.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -65.91 -24.46 66.84 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.178 -0.951 . . . . 0.0 113.32 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.19 -0.35 11.78 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 166.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -137.18 -20.41 1.23 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -156.4 126.15 6.34 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.402 1.881 . . . . 0.0 110.261 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -89.94 -15.72 31.43 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.561 1.144 . . . . 0.0 113.862 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -133.07 61.61 56.79 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.751 1.221 . . . . 0.0 113.101 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -61.22 141.16 92.38 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.085 2.523 . . . . 0.0 112.527 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -92.95 168.65 11.01 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.328 1.451 . . . . 0.0 111.329 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.8 ptm -53.31 -26.88 20.32 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 -174.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 t -85.14 -31.49 23.26 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.43 1.092 . . . . 0.0 112.631 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -47.35 62.51 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.831 -1.168 . . . . 0.0 110.974 172.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -64.94 -32.09 73.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.239 1.415 . . . . 0.0 112.529 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.74 -29.78 61.28 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -71.79 -41.4 68.34 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.702 1.137 . . . . 0.0 110.834 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -55.14 -36.36 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.828 -0.545 . . . . 0.0 110.14 169.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.35 -17.84 61.24 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.06 -53.12 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 120.452 1.478 . . . . 0.0 109.241 163.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -66.5 -38.03 86.34 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 p -89.32 -4.16 58.21 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.041 1.336 . . . . 0.0 114.527 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.2 t30 56.38 54.07 8.02 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.816 1.646 . . . . 0.0 113.464 -172.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mp -114.69 -165.93 1.06 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.778 2.431 . . . . 0.0 111.078 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 p -112.3 161.2 16.89 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.39 -0.819 . . . . 0.0 110.122 152.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -52.31 -43.26 64.42 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.883 0.873 . . . . 0.0 112.416 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.76 79.22 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.747 0.819 . . . . 0.0 112.78 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.493 HH12 ' CG ' ' A' ' 7' ' ' HIS . 45.4 mmm-85 -69.02 -34.75 75.76 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.734 -1.229 . . . . 0.0 112.553 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -64.18 -43.59 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.533 0.606 . . . . 0.0 110.303 171.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -58.11 -46.93 84.73 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.627 1.171 . . . . 0.0 112.188 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.6 -43.31 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.172 1.389 . . . . 0.0 111.738 176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -63.13 -47.47 82.62 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.835 0.743 . . . . 0.0 111.848 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.13 -44.91 94.55 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.104 0.562 . . . . 0.0 112.272 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -68.67 -40.85 79.96 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.24 0.927 . . . . 0.0 112.864 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.0 -24.37 66.02 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.965 1.257 . . . . 0.0 113.37 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -79.27 -46.81 17.05 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.91 1.284 . . . . 0.0 112.201 170.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -61.26 -37.3 82.62 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.683 1.129 . . . . 0.0 112.261 174.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.11 -32.08 65.95 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -175.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -50.45 -42.68 54.55 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.156 1.344 . . . . 0.0 112.263 171.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.0 t-105 -63.95 -13.84 49.09 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.965 1.706 . . . . 0.0 113.59 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -113.34 -33.8 5.82 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.911 1.685 . . . . 0.0 112.835 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -66.79 -28.85 68.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.464 1.505 . . . . 0.0 112.465 172.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -91.14 -8.0 49.96 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.091 1.756 . . . . 0.0 113.926 169.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 56.54 112.18 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.363 3.065 . . . . 0.0 116.384 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -107.55 -23.63 12.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.943 1.297 . . . . 0.0 111.525 156.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -66.82 -15.35 63.54 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.3 mm 20.61 107.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 130.987 3.715 . . . . 0.0 115.267 168.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.65 135.03 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.434 0.694 . . . . 0.0 110.235 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 p -122.19 -12.58 8.27 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.281 1.432 . . . . 0.0 113.895 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 126.993 2.117 . . . . 0.0 112.153 167.703 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.508 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.262 0 P-O3'-C3' 124.129 3.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.284 1 O4'-C1'-N19 111.446 4.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.539 0 P-O3'-C3' 122.56 2.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 112.31 5.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.601 3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.675 0 O5'-C5'-C4' 114.963 3.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.152 1 O4'-C1'-N19 113.351 6.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.856 0 O5'-C5'-C4' 115.019 3.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.471 0 O5'-C5'-C4' 114.885 3.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.742 0 P-O3'-C3' 123.873 3.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.772 0 P-O3'-C3' 123.948 3.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 1 O4'-C1'-N19 111.488 4.609 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.243 0 O4'-C4'-C3' 107.648 2.048 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 112.983 6.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.303 0 P-O3'-C3' 122.883 2.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 1 O4'-C1'-N19 112.871 6.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 0 P-O3'-C3' 124.424 3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 109.927 2.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.887 0 O4'-C1'-N19 110.804 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.817 0 O4'-C1'-N19 109.724 2.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.973 1 O4'-C1'-N19 113.32 6.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.499 2 O5'-C5'-C4' 116.249 4.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 P-O3'-C3' 124.743 4.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.31 0 O4'-C4'-C3' 109.111 3.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 O4'-C1'-N19 110.948 3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.09 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.5 m -55.92 142.4 35.71 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.055 0.942 . . . . 0.0 112.591 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -79.91 132.09 35.99 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.855 0.862 . . . . 0.0 111.717 -172.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -80.28 149.97 30.16 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 118.759 -0.639 . . . . 0.0 110.812 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -128.82 152.9 47.97 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.475 0.916 . . . . 0.0 113.475 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -83.38 162.79 20.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.307 1.043 . . . . 0.0 110.294 159.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 mtp-105 -135.93 158.26 44.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.785 1.234 . . . . 0.0 111.078 164.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.5 m 58.41 38.77 25.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.001 1.721 . . . . 0.0 112.513 164.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -84.67 59.08 5.29 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.363 -0.836 . . . . 0.0 112.046 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -132.75 143.17 49.41 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.355 1.862 . . . . 0.0 110.042 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.8 p -103.47 161.88 13.5 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.027 1.331 . . . . 0.0 111.907 173.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -56.92 -32.1 65.6 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 121.028 -1.045 . . . . 0.0 112.599 171.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -66.09 -38.86 89.32 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.827 0.851 . . . . 0.0 111.825 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -75.71 -41.38 53.7 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.459 0.704 . . . . 0.0 111.285 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.71 -35.78 75.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.993 0.917 . . . . 0.0 111.976 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -66.66 -2.44 4.9 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 175.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -111.31 -29.05 7.97 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.014 1.279 . . . . 0.0 112.979 162.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.92 -49.37 65.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.076 0.95 . . . . 0.0 111.468 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.55 -35.37 73.08 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.032 -1.042 . . . . 0.0 112.232 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.77 -18.26 62.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 171.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 m -87.56 -45.76 10.16 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.792 0.837 . . . . 0.0 111.324 166.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -58.23 -25.79 62.1 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -68.39 -21.36 64.7 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 171.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -123.29 -18.55 6.24 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -174.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -155.85 132.74 10.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.956 1.302 . . . . 0.0 110.56 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.2 mtp85 -107.61 -10.78 15.59 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.913 1.685 . . . . 0.0 113.016 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -135.01 51.81 6.48 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.8 1.64 . . . . 0.0 112.62 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.58 142.69 72.21 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.651 2.901 . . . . 0.0 113.888 -171.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.53 157.83 36.39 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.712 1.605 . . . . 0.0 113.229 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.7 ptp -44.67 -40.16 5.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.512 1.125 . . . . 0.0 113.98 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 p -66.16 -36.08 82.15 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.579 1.152 . . . . 0.0 113.02 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 m -76.96 -42.64 38.31 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.625 1.57 . . . . 0.0 110.741 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 -65.72 -37.3 86.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.458 -0.782 . . . . 0.0 112.465 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.76 -32.43 70.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.349 0.977 . . . . 0.0 112.953 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -73.71 -41.66 62.29 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.611 1.096 . . . . 0.0 112.222 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.4 mt -57.54 -39.28 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.271 -0.893 . . . . 0.0 110.353 170.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.32 83.54 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 118.241 -0.885 . . . . 0.0 113.044 172.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.12 -49.01 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.276 1.398 . . . . 0.0 110.832 171.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -64.24 -44.92 90.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.72 0.691 . . . . 0.0 111.824 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p -88.53 -6.23 57.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 54.78 33.81 20.47 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.118 1.767 . . . . 0.0 114.175 -169.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -84.96 -173.73 4.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.84 1.656 . . . . 0.0 110.06 163.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.0 p -114.51 164.87 13.39 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.947 1.299 . . . . 0.0 110.284 160.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -53.63 -43.13 68.48 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.957 0.903 . . . . 0.0 111.968 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.97 82.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.821 0.848 . . . . 0.0 112.195 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -62.91 -36.76 84.43 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.177 -0.952 . . . . 0.0 112.341 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -65.85 -45.29 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.158 0.583 . . . . 0.0 110.704 172.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -58.99 -44.83 91.67 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.318 1.047 . . . . 0.0 111.999 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.51 -44.04 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.767 1.227 . . . . 0.0 111.866 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -60.27 -43.17 96.43 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.699 0.681 . . . . 0.0 111.443 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -64.72 -47.53 77.94 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -62.89 -39.52 94.72 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 120.133 1.333 . . . . 0.0 112.297 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -68.05 -35.84 78.89 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.359 0.982 . . . . 0.0 112.744 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -35.42 81.1 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.607 1.094 . . . . 0.0 113.281 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.6 mtm-85 -75.84 -43.51 45.53 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.139 0.976 . . . . 0.0 111.379 171.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.04 -0.18 5.41 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -51.64 -34.5 38.1 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.7 -1.25 . . . . 0.0 112.042 170.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -29.05 67.27 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.125 1.37 . . . . 0.0 113.807 172.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -93.08 -40.02 10.75 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.742 1.217 . . . . 0.0 112.79 173.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -92.35 -12.51 32.17 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -123.93 -31.36 3.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.393 1.477 . . . . 0.0 112.497 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.36 -0.75 18.89 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.476 1.288 . . . . 0.0 114.476 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 58.88 -47.91 0.06 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.999 2.92 . . . . 0.0 115.96 -172.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -146.38 -14.08 0.45 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.9 mt -86.95 142.58 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.792 1.178 . . . . 0.0 111.234 -172.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.9 p -67.8 131.71 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.973 0.909 . . . . 0.0 113.36 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -89.88 145.82 24.86 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.536 1.534 . . . . 0.0 111.522 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--O 1.254 1.293 0 C-N-CA 124.832 1.253 . . . . 0.0 114.039 -175.287 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.71 0 O4'-C1'-N19 110.637 3.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.422 2 O5'-C5'-C4' 118.159 5.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.244 0 P-O3'-C3' 123.249 2.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.924 1 O4'-C1'-N19 111.043 4.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.15 1 O4'-C1'-N19 112.389 5.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 P-O3'-C3' 122.969 2.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 1 O5'-C5'-C4' 116.2 4.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.405 1 O4'-C1'-N19 112.07 5.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.975 0 P-O3'-C3' 124.096 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.274 0 O4'-C1'-N19 110.275 3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.498 2 O4'-C1'-N19 112.189 5.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 P-O3'-C3' 124.103 3.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 1 O4'-C1'-N19 111.726 4.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.326 1 O4'-C1'-N19 111.185 4.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 112.569 5.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.633 0 P-O3'-C3' 123.682 3.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.527 1 O4'-C1'-N19 111.246 4.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 P-O3'-C3' 124.043 3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.591 0 O4'-C1'-N19 110.738 3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.402 0 O4'-C4'-C3' 108.485 2.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 1 O4'-C4'-C3' 109.735 4.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.487 0 O4'-C4'-C3' 108.918 3.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.869 1 O4'-C1'-N19 111.25 4.312 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 0 P-O3'-C3' 124.244 3.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.094 0 O5'-C5'-C4' 115.143 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.041 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.3 m -78.3 140.03 38.83 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.271 1.035 . . . . 0.0 111.698 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -84.7 59.77 5.72 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 112.049 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -41.99 140.32 1.1 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 128.203 2.601 . . . . 0.0 113.076 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 66.0 mtt85 -124.62 148.34 47.96 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.096 1.358 . . . . 0.0 113.115 -173.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -62.27 -58.08 9.04 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 177.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 56.56 110.95 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.464 2.706 . . . . 0.0 114.768 -171.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -85.09 157.17 20.78 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 121.321 -0.862 . . . . 0.0 112.958 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -102.87 149.59 24.36 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 126.483 1.913 . . . . 0.0 111.513 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -125.15 132.04 53.14 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.222 1.009 . . . . 0.0 112.358 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -78.15 157.19 29.51 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.282 0.633 . . . . 0.0 110.442 165.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -63.25 -31.73 72.96 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.873 -1.142 . . . . 0.0 112.082 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -60.79 -32.23 71.57 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.611 1.165 . . . . 0.0 113.047 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -73.7 -48.95 28.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.342 0.974 . . . . 0.0 110.85 172.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.29 -36.89 81.31 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -26.17 67.47 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -175.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -83.34 -28.38 29.06 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.224 1.009 . . . . 0.0 112.636 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.42 -44.41 44.67 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.381 1.072 . . . . 0.0 110.822 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -63.86 -41.66 97.73 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.21 0.459 . . . . 0.0 111.769 171.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.42 -30.15 71.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.491 0.716 . . . . 0.0 112.536 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.0 m -72.68 -53.86 10.58 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.242 0.617 . . . . 0.0 110.578 170.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.49 -38.38 69.07 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.101 0.864 . . . . 0.0 112.348 -176.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.94 -16.98 62.11 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.128 1.371 . . . . 0.0 114.685 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ptm85 -110.98 -23.95 10.65 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.758 1.223 . . . . 0.0 113.756 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -155.46 104.69 2.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.042 1.737 . . . . 0.0 110.193 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -75.24 -8.01 55.45 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.323 1.049 . . . . 0.0 113.756 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -138.02 58.31 15.24 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.671 1.589 . . . . 0.0 112.834 -167.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -66.36 131.47 26.58 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.393 2.062 . . . . 0.0 111.175 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -77.87 167.43 21.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.09 1.356 . . . . 0.0 111.437 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 ptp -51.47 -42.34 61.55 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.9 p -58.62 -39.53 80.74 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.665 1.986 . . . . 0.0 112.931 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m -79.3 -43.6 23.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.507 1.923 . . . . 0.0 111.753 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -64.53 -41.06 96.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.85 0.86 . . . . 0.0 111.688 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -71.47 -31.54 67.27 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.779 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.98 -49.15 75.83 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.578 1.081 . . . . 0.0 112.2 167.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.91 -38.85 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.141 -0.974 . . . . 0.0 110.545 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.12 -31.07 71.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.017 0.927 . . . . 0.0 113.183 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.1 t -67.43 -44.5 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 119.867 1.212 . . . . 0.0 111.332 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -65.25 -42.56 93.17 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.179 0.9 . . . . 0.0 112.635 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.2 p -95.82 -3.56 45.37 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.67 1.588 . . . . 0.0 114.468 -173.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.274 16.5 t-20 54.61 37.34 27.91 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.294 2.238 . . . . 0.0 114.659 -170.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -85.55 -163.88 0.93 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.393 1.877 . . . . 0.0 110.962 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.8 p -120.03 161.75 20.41 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.645 1.178 . . . . 0.0 111.079 160.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.78 -28.44 34.84 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.38 1.872 . . . . 0.0 112.984 171.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.0 -39.4 30.09 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 169.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.45 -34.81 69.36 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.559 1.527 . . . . 0.0 111.838 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.19 -47.61 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.491 0.587 . . . . 0.0 111.14 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -56.59 -49.72 74.05 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.695 0.798 . . . . 0.0 111.67 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.14 -41.84 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.233 1.013 . . . . 0.0 111.323 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -62.88 -36.99 85.15 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.568 -0.707 . . . . 0.0 112.438 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.06 -51.15 49.98 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.561 1.144 . . . . 0.0 112.351 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -35.91 82.56 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.838 1.199 . . . . 0.0 113.12 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -68.4 -14.52 63.06 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 121.223 -0.923 . . . . 0.0 112.916 172.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.37 -34.78 18.68 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.863 1.265 . . . . 0.0 113.474 168.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -56.54 -40.43 75.1 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.181 0.901 . . . . 0.0 111.456 167.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.49 -47.34 79.49 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.702 0.801 . . . . 0.0 112.195 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -62.24 -27.93 69.34 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -67.91 -62.64 1.31 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.42 1.009 . . . . 0.0 110.13 168.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -67.35 -10.47 51.3 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -88.71 -0.34 57.2 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.252 1.421 . . . . 0.0 114.468 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -133.24 -14.1 2.65 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 162.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.49 76.59 1.51 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.186 1.394 . . . . 0.0 113.482 167.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -66.58 2.42 1.32 Allowed 'General case' 0 N--CA 1.486 1.367 0 O-C-N 119.864 -1.772 . . . . 0.0 113.319 160.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -124.9 7.45 8.05 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.775 2.43 . . . . 0.0 114.542 -172.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.7 mt -124.85 139.02 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.211 1.004 . . . . 0.0 109.829 173.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.68 140.2 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 125.72 1.608 . . . . 0.0 112.027 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 t -108.09 152.11 24.96 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.025 0.93 . . . . 0.0 110.265 164.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 C--O 1.254 1.308 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -173.748 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 1 O4'-C1'-N19 111.051 4.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.89 0 O4'-C1'-N19 110.439 3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.844 1 O4'-C1'-N19 111.009 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.152 0 O4'-C4'-C3' 107.993 2.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 1 O4'-C1'-N19 112.436 5.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.44 1 O5'-C5'-C4' 116.013 4.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C4'-C3' 109.312 3.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.534 0 P-O3'-C3' 124.15 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.57 0 O4'-C4'-C3' 108.491 2.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 0 O5'-C5'-C4' 114.458 3.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 1 O4'-C1'-N19 112.6 6.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.164 0 P-O3'-C3' 123.467 3.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-N19 112.197 5.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.675 0 O4'-C1'-N19 110.815 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.273 1 O4'-C1'-N19 113.893 7.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.639 0 P-O3'-C3' 123.118 2.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.937 0 P-O3'-C3' 122.892 2.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.257 0 O4'-C1'-N19 110.949 3.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C4'-C3' 108.411 2.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.993 1 O4'-C1'-N19 113.34 6.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 P-O3'-C3' 123.768 3.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.1 1 O4'-C1'-N19 111.377 4.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C4'-C3' 108.904 3.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.723 2 O4'-C1'-N19 113.104 6.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 0 P-O3'-C3' 124.101 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 0 O4'-C1'-N19 110.574 3.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.081 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 18.7 m -137.03 155.31 49.84 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -142.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -63.1 156.41 25.04 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.015 2.126 . . . . 0.0 111.598 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -63.81 161.76 14.76 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.841 0.856 . . . . 0.0 112.838 174.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -129.8 162.31 28.76 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.902 1.281 . . . . 0.0 113.344 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -126.59 178.92 5.59 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 127.187 2.195 . . . . 0.0 108.358 168.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.0 mtp-105 -130.27 135.56 48.24 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.119 0.485 . . . . 0.0 111.435 146.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m 67.36 49.82 1.01 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.357 2.663 . . . . 0.0 113.901 164.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -73.48 -14.13 61.18 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -90.34 166.27 13.4 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.237 1.015 . . . . 0.0 113.727 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 p -119.38 158.03 26.99 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.371 1.468 . . . . 0.0 112.755 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.4 m -62.07 -37.33 84.62 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.029 -1.044 . . . . 0.0 112.856 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -65.07 -33.03 75.07 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.584 1.154 . . . . 0.0 112.611 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.21 -50.52 60.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.728 0.694 . . . . 0.0 109.942 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.68 -19.77 65.18 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -57.79 -28.52 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.596 1.089 . . . . 0.0 113.387 173.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -82.51 -35.79 27.01 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.893 1.224 . . . . 0.0 112.233 171.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -69.85 -42.26 73.8 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.568 0.747 . . . . 0.0 111.222 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.8 -39.93 79.83 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.521 0.729 . . . . 0.0 112.614 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.37 89.62 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.837 0.455 . . . . 0.0 111.361 172.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 m -66.32 -40.81 90.16 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.63 -0.669 . . . . 0.0 111.418 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.06 -19.54 65.29 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.858 -1.151 . . . . 0.0 113.745 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.7 -10.08 59.13 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 171.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -130.03 -26.85 2.34 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -147.1 101.24 3.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.436 1.495 . . . . 0.0 110.114 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -80.54 -9.24 59.78 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.103 1.761 . . . . 0.0 112.94 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -132.26 62.47 63.5 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.798 1.639 . . . . 0.0 111.482 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -67.77 142.5 58.04 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.028 2.486 . . . . 0.0 113.227 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -88.91 164.55 15.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.297 2.239 . . . . 0.0 111.912 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ptp -53.39 -38.49 63.45 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -67.53 -21.93 65.44 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 127.044 2.137 . . . . 0.0 114.401 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.7 m -98.39 -37.98 9.4 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.509 1.524 . . . . 0.0 111.056 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.414 HH22 ' P ' ' C' ' 81' ' ' ' DG' . 76.9 mtm-85 -63.35 -35.01 78.98 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.267 -0.895 . . . . 0.0 112.041 174.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.74 -29.87 62.48 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -67.19 -47.13 71.83 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.058 1.299 . . . . 0.0 111.03 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.12 -34.96 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.406 0.682 . . . . 0.0 110.994 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.92 96.18 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 172.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.6 -43.38 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.417 -0.802 . . . . 0.0 111.393 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -63.88 -32.92 74.61 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.308 0.643 . . . . 0.0 112.446 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -97.1 -8.96 28.96 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -173.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t30 64.81 46.04 3.13 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.167 1.387 . . . . 0.0 113.038 -168.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.01 -172.29 2.55 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.808 2.043 . . . . 0.0 111.044 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.94 148.26 47.04 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.316 2.246 . . . . 0.0 110.803 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -56.95 -41.64 78.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.797 1.239 . . . . 0.0 113.799 -167.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.66 -30.19 71.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.934 0.894 . . . . 0.0 112.67 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -71.4 -41.43 69.62 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.215 0.606 . . . . 0.0 111.927 172.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.89 -44.83 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.57 0.748 . . . . 0.0 110.066 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -54.98 -43.92 73.96 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.695 1.198 . . . . 0.0 112.386 174.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.4 t -72.3 -37.52 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 117.949 -1.024 . . . . 0.0 112.653 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -60.9 -42.0 97.17 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.514 1.507 . . . . 0.0 111.602 170.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.8 -42.14 86.46 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -68.59 -36.22 78.41 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.796 1.18 . . . . 0.0 112.172 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -70.52 -32.7 70.26 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.472 1.033 . . . . 0.0 112.285 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -32.94 70.01 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.135 1.374 . . . . 0.0 113.069 171.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.0 mtm-85 -87.69 -30.7 20.18 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.721 1.209 . . . . 0.0 111.778 173.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.96 -25.3 66.72 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 170.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -50.77 -58.62 5.47 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.337 0.972 . . . . 0.0 111.865 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -65.56 -36.35 83.53 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.263 0.938 . . . . 0.0 112.399 -171.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 -67.23 -35.6 79.91 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.569 -1.332 . . . . 0.0 113.014 171.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -74.83 3.52 7.97 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 168.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -123.54 -28.34 3.92 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.349 1.459 . . . . 0.0 114.745 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -137.7 7.44 2.76 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.471 1.508 . . . . 0.0 113.896 -169.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 59.86 -41.69 0.09 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.952 2.901 . . . . 0.0 115.528 -162.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -150.97 -16.06 0.22 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.0 mt -71.88 130.71 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 120.069 1.304 . . . . 0.0 111.286 -168.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 p -93.74 152.62 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -166.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.2 p -76.47 -7.7 55.66 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.181 2.192 . . . . 0.0 115.576 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 C--O 1.25 1.129 0 C-N-CA 126.784 2.034 . . . . 0.0 114.084 -173.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.786 0 O4'-C1'-N19 110.498 3.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.353 0 O4'-C1'-N19 110.063 2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.499 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.958 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.312 1 O4'-C1'-N19 111.753 4.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.603 0 O5'-C5'-C4' 113.416 2.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 P-O3'-C3' 124.118 3.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.234 3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.384 0 O4'-C4'-C3' 109.515 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.143 0 P-O3'-C3' 123.171 2.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.812 0 P-O3'-C3' 123.614 3.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 O4'-C1'-N19 110.887 3.859 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.736 0 O4'-C1'-N19 110.169 2.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . 0.414 ' P ' HH22 ' A' ' 31' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.864 5.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.76 0 P-O3'-C3' 123.532 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.866 0 O4'-C4'-C3' 108.799 3.199 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.727 0 P-O3'-C3' 123.563 3.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.764 0 O5'-C5'-C4' 115.662 3.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.7 1 P-O3'-C3' 125.214 4.595 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.445 1 O4'-C1'-N19 111.306 4.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C4'-C3' 109.131 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.405 1 O4'-C1'-N19 112.082 5.353 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.452 0 O4'-C4'-C3' 109.085 3.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.443 0 O5'-C5'-C4' 115.786 3.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.555 0 P-O3'-C3' 123.559 3.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.982 0 CA-C-O 121.38 0.433 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 45.4 m -122.48 158.65 29.34 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.752 2.021 . . . . 0.0 113.111 -173.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -90.38 139.08 31.02 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.504 1.522 . . . . 0.0 111.349 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -115.69 162.14 17.68 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.92 1.288 . . . . 0.0 113.459 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -115.79 145.64 42.65 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.098 1.759 . . . . 0.0 111.601 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -77.95 -60.43 2.37 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -168.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.338 5.1 mtp85 60.68 174.55 0.1 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.399 2.68 . . . . 0.0 115.06 -171.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 m -41.02 133.04 2.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.993 2.517 . . . . 0.0 116.859 -145.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -140.42 35.88 1.86 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.937 1.295 . . . . 0.0 111.988 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -107.48 93.48 4.57 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.961 1.304 . . . . 0.0 111.169 -170.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -84.38 165.96 17.77 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.249 1.02 . . . . 0.0 111.661 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.3 p -58.23 -18.24 24.95 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -77.79 -38.51 46.49 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.775 1.171 . . . . 0.0 111.922 169.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -75.87 -44.78 39.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.188 0.595 . . . . 0.0 111.575 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.93 -32.72 73.16 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.037 0.935 . . . . 0.0 113.474 -171.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.48 -23.93 67.61 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -85.67 -31.12 22.69 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.847 1.203 . . . . 0.0 112.509 171.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.16 -44.94 28.41 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.45 -0.781 . . . . 0.0 111.343 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.39 -43.59 85.42 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.708 0.685 . . . . 0.0 111.847 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -34.54 75.65 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.539 -0.726 . . . . 0.0 112.215 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.3 m -67.06 -44.74 79.34 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.52 0.728 . . . . 0.0 110.894 171.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -62.71 -18.27 62.2 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.503 1.047 . . . . 0.0 113.587 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -76.68 -26.29 54.6 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 120.479 -1.388 . . . . 0.0 112.314 170.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -115.11 -20.0 10.62 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -172.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -156.13 118.13 4.0 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.358 1.463 . . . . 0.0 110.434 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -71.56 -21.87 61.82 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.078 0.951 . . . . 0.0 113.279 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -138.12 74.91 41.96 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.375 1.47 . . . . 0.0 111.274 -169.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.52 149.82 87.33 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.542 2.828 . . . . 0.0 113.008 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.14 168.06 20.14 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.586 1.154 . . . . 0.0 112.321 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.3 ptp -62.19 -25.09 67.59 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.464 -1.398 . . . . 0.0 113.135 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.9 p -73.26 -43.4 61.17 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.632 1.573 . . . . 0.0 112.445 170.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -62.88 -45.51 92.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.179 0.992 . . . . 0.0 111.433 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 mtm-85 -72.1 -35.96 69.34 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.43 1.092 . . . . 0.0 112.429 -175.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -70.21 -35.42 73.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.556 1.071 . . . . 0.0 112.371 172.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.62 -42.29 71.12 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.439 1.018 . . . . 0.0 111.873 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.76 -39.32 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 121.333 -0.855 . . . . 0.0 110.741 169.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -15.57 61.5 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.13 -49.84 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 120.339 1.427 . . . . 0.0 109.764 164.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -62.76 -27.58 69.38 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -106.28 -10.95 16.18 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.951 1.7 . . . . 0.0 114.35 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.3 t30 54.7 28.06 9.57 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -165.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.5 mt -75.21 -161.72 0.16 Allowed 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.957 -1.089 . . . . 0.0 110.124 162.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -127.6 153.57 46.25 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.87 -1.144 . . . . 0.0 110.103 165.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -52.42 -43.13 64.65 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.465 1.106 . . . . 0.0 113.184 -174.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.79 83.07 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.833 -0.542 . . . . 0.0 112.14 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -65.94 -22.75 66.51 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.262 -0.899 . . . . 0.0 113.084 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.99 -41.21 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.133 0.878 . . . . 0.0 110.609 172.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -62.46 -43.34 99.06 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.047 0.84 . . . . 0.0 111.976 172.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -57.38 -43.86 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.211 1.004 . . . . 0.0 111.366 173.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -66.03 -47.12 75.44 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.464 -0.773 . . . . 0.0 111.913 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -65.49 -42.82 91.75 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.781 0.719 . . . . 0.0 112.689 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -68.75 -40.01 80.03 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.248 0.931 . . . . 0.0 112.251 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.72 -32.59 73.99 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.489 -0.767 . . . . 0.0 112.092 173.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -39.25 80.26 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.81 1.186 . . . . 0.0 113.344 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ptm85 -78.15 -32.72 50.44 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 171.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.43 -27.24 68.97 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -50.19 -37.85 37.07 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.368 0.986 . . . . 0.0 113.33 174.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -59.4 -56.85 16.84 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.217 1.007 . . . . 0.0 111.081 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -69.91 -26.71 64.28 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.323 -0.861 . . . . 0.0 112.474 -177.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -76.67 -12.94 60.08 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 172.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -102.11 -36.32 8.6 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.022 1.329 . . . . 0.0 112.981 173.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -133.09 -6.28 3.05 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -168.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 58.53 -40.67 0.06 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.828 2.851 . . . . 0.0 116.442 -171.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -146.82 -30.78 0.35 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.186 1.394 . . . . 0.0 114.633 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.2 mt -63.99 127.73 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 120.631 1.56 . . . . 0.0 110.616 -172.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.1 p -130.78 137.67 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.894 1.278 . . . . 0.0 112.884 -171.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -144.73 115.05 7.56 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.624 1.57 . . . . 0.0 110.188 165.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.277 35.6 t70 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 128.531 2.732 . . . . 0.0 114.967 -159.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.901 0 O5'-C5'-C4' 114.654 3.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 0 O4'-C1'-N19 110.75 3.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.973 1 O4'-C1'-N19 111.125 4.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.604 0 O5'-C5'-C4' 114.319 2.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.676 1 O4'-C1'-N19 111.575 4.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.631 0 O5'-C5'-C4' 114.888 3.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.977 2 O5'-C5'-C4' 118.438 5.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.135 2 O4'-C1'-N19 111.481 4.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C4'-C3' 108.52 2.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.814 0 O4'-C1'-N19 109.595 2.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.261 1 O4'-C1'-N19 112.268 5.586 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 0 P-O3'-C3' 123.006 2.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 1 O4'-C1'-N19 111.325 4.406 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.35 0 O5'-C5'-C4' 113.307 2.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.218 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.004 0 O5'-C5'-C4' 113.966 2.69 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 112.101 5.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C4'-C3' 108.423 2.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.191 1 O5'-C5'-C4' 116.508 4.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.734 0 P-O3'-C3' 123.237 2.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 0 P-O3'-C3' 123.224 2.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O5'-C5'-C4' 115.628 3.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 0 O5'-C5'-C4' 114.532 3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 1 P-O3'-C3' 124.707 4.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.201 0 P-O3'-C3' 123.061 2.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 P-O3'-C3' 123.604 3.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.111 0 N-CA-C 111.849 -0.501 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.0 p -120.54 20.72 11.77 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.043 1.737 . . . . 0.0 113.137 173.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -122.59 163.12 20.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.767 2.427 . . . . 0.0 112.082 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -104.61 158.83 16.23 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 174.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -62.78 158.98 17.39 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.467 1.107 . . . . 0.0 112.385 171.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -140.26 -175.95 4.44 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.307 2.243 . . . . 0.0 107.903 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.14 -172.63 3.18 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.79 1.236 . . . . 0.0 111.367 174.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 m -61.1 128.31 35.78 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -161.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -128.2 9.62 6.22 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.531 1.533 . . . . 0.0 112.851 163.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -67.82 150.97 47.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.208 1.003 . . . . 0.0 112.618 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 p -120.23 161.31 21.31 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.489 1.516 . . . . 0.0 112.228 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -60.88 -32.93 72.37 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 120.995 -1.066 . . . . 0.0 112.493 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -69.94 -35.77 74.77 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.101 0.96 . . . . 0.0 112.709 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -68.65 -46.27 69.6 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.072 0.851 . . . . 0.0 110.668 172.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.22 -30.12 69.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.814 0.846 . . . . 0.0 112.57 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -60.7 -38.0 83.56 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.32 -37.75 60.61 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 121.142 1.792 . . . . 0.0 111.495 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.57 -43.24 94.49 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.015 0.926 . . . . 0.0 111.312 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.31 -22.14 30.76 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.53 -37.21 74.05 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.408 0.549 . . . . 0.0 111.6 163.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 m -65.46 -51.47 59.93 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.772 -0.58 . . . . 0.0 110.23 171.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.31 -35.57 70.0 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.223 1.009 . . . . 0.0 113.623 -175.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -25.2 67.21 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.209 -0.932 . . . . 0.0 113.216 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -106.37 -33.86 7.62 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.407 1.483 . . . . 0.0 114.514 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -140.14 105.9 5.15 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.076 1.751 . . . . 0.0 110.965 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -73.72 -15.29 61.22 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -135.27 71.0 68.09 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 119.116 0.871 . . . . 0.0 112.476 -165.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.94 155.24 69.14 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.188 2.592 . . . . 0.0 113.069 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -88.95 159.69 17.51 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.689 1.995 . . . . 0.0 112.221 172.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -49.4 -41.6 39.98 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.6 -16.65 62.3 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.472 1.109 . . . . 0.0 112.652 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.8 m -95.56 -36.0 11.44 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.414 1.486 . . . . 0.0 111.688 170.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -64.48 -36.58 84.64 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.875 -1.14 . . . . 0.0 112.271 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -70.76 -27.14 63.71 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.248 0.931 . . . . 0.0 113.477 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -72.36 -47.7 47.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.933 0.893 . . . . 0.0 110.593 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.3 mt -57.89 -35.72 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.865 0.866 . . . . 0.0 110.791 172.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.65 95.19 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.755 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.46 -45.95 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.361 1.437 . . . . 0.0 110.909 171.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -63.27 -28.61 70.14 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.8 p -108.01 -0.26 21.38 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.998 1.319 . . . . 0.0 113.406 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 54.7 t30 58.68 20.82 8.15 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.538 1.935 . . . . 0.0 115.358 -170.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -75.97 -168.03 0.83 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.027 1.731 . . . . 0.0 111.213 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 p -130.79 155.87 45.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.129 2.172 . . . . 0.0 109.019 164.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -53.37 -40.75 65.21 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -166.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.28 93.3 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.991 0.814 . . . . 0.0 112.275 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -63.51 -38.33 90.71 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.163 -0.961 . . . . 0.0 111.287 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.02 -47.33 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.437 0.695 . . . . 0.0 110.534 173.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -57.12 -41.24 78.66 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.071 0.948 . . . . 0.0 112.228 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.89 -36.74 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.493 1.517 . . . . 0.0 112.619 174.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -61.81 -41.49 97.83 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.922 0.783 . . . . 0.0 111.946 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -68.26 -46.18 71.12 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.762 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -11.55 60.46 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 120.296 1.407 . . . . 0.0 114.751 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -87.6 -26.45 23.07 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 167.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -37.28 85.08 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.878 1.217 . . . . 0.0 112.867 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 ptm85 -64.22 -39.29 93.66 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 165.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.54 -25.26 67.9 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.39 -34.56 72.59 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 120.033 1.288 . . . . 0.0 113.032 171.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.0 t90 -75.27 -16.8 60.42 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.813 1.245 . . . . 0.0 112.965 174.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -90.34 -59.13 2.27 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.592 -1.318 . . . . 0.0 110.775 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.44 -26.8 68.12 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.583 1.553 . . . . 0.0 113.933 -172.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -98.59 -33.76 10.85 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 175.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -121.77 -13.44 8.29 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -165.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 48.84 44.05 21.74 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 120.743 1.61 . . . . 0.0 112.524 -168.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . 0.411 1.5 p90 60.8 16.63 6.95 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 117.311 2.337 . . . . 0.0 117.311 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.02 148.14 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 O-C-N 119.919 -1.738 . . . . 0.0 110.445 169.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.6 m -106.15 24.42 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 125.358 1.463 . . . . 0.0 114.611 -169.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -22.41 66.32 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -175.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 N--CA 1.485 1.314 0 C-N-CA 125.376 1.47 . . . . 0.0 114.313 175.383 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 0 O4'-C4'-C3' 108.407 2.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.387 0 P-O3'-C3' 123.852 3.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 0 P-O3'-C3' 124.117 3.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 0 O4'-C4'-C3' 108.531 2.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.189 1 O4'-C1'-N19 111.654 4.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.88 0 O5'-C5'-C4' 115.346 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.202 1 O5'-C5'-C4' 116.573 4.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 0 P-O3'-C3' 123.695 3.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 P-O3'-C3' 123.525 3.188 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C1'-N19 109.972 2.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.447 0 O4'-C4'-C3' 108.586 2.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 112.87 6.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.412 1 O4'-C1'-N19 112.996 6.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.405 1 O4'-C1'-N19 114.374 8.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.709 0 P-O3'-C3' 123.245 2.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 P-O3'-C3' 123.5 3.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.172 0 O4'-C1'-N19 110.845 3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.495 2 P-O3'-C3' 125.054 4.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.296 0 O5'-C5'-C4' 114.296 2.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.823 0 P-O3'-C3' 124.013 3.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.627 0 P-O3'-C3' 124.066 3.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 O4'-C1'-N19 110.719 3.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.409 1 O4'-C1'-N19 113.535 7.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 0 P-O3'-C3' 123.969 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.712 1 O4'-C1'-N19 111.129 4.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.933 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 14.8 m 59.05 27.95 17.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.538 1.935 . . . . 0.0 114.852 -173.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -108.23 143.59 36.84 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.414 1.086 . . . . 0.0 108.965 162.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.254 22.7 ptt85 -77.72 161.29 27.84 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.72 -1.238 . . . . 0.0 113.256 -170.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -60.63 159.75 10.24 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.271 1.428 . . . . 0.0 112.743 -174.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -146.96 175.15 10.89 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.153 1.781 . . . . 0.0 109.495 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -148.79 75.26 1.3 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.084 0.856 . . . . 0.0 112.711 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 t -71.69 172.22 10.12 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -126.09 118.93 26.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.498 1.919 . . . . 0.0 108.643 167.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -82.64 140.61 33.07 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -165.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.8 151.59 31.88 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -173.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.3 m -62.04 -29.51 70.34 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.142 -0.974 . . . . 0.0 112.764 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -62.2 -23.61 66.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.608 1.163 . . . . 0.0 112.973 172.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -88.15 -44.26 11.04 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.748 0.819 . . . . 0.0 111.32 168.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.02 -33.3 70.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.757 0.823 . . . . 0.0 113.125 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -64.62 -9.52 20.06 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 175.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -110.43 -36.05 5.88 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.523 1.056 . . . . 0.0 113.094 160.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.18 -53.0 42.81 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.722 1.146 . . . . 0.0 112.339 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -71.77 -36.87 70.5 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.16 0.891 . . . . 0.0 111.478 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.74 68.98 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -81.46 -45.81 15.47 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.185 0.994 . . . . 0.0 111.121 168.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -57.82 -32.97 68.11 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.107 0.867 . . . . 0.0 112.696 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.34 -26.14 68.28 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 173.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -108.97 -22.09 12.33 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -155.57 123.79 5.84 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.684 1.194 . . . . 0.0 110.187 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' HB2' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -94.29 -7.18 42.67 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.763 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.4 ' CE1' ' HB2' ' A' ' 24' ' ' ARG . 11.2 m-85 -137.78 46.79 1.42 Allowed Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 124.939 1.296 . . . . 0.0 113.679 -171.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -60.32 149.75 84.08 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 124.186 3.258 . . . . 0.0 114.491 -173.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.85 155.99 39.35 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.362 1.065 . . . . 0.0 113.8 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -47.13 -36.06 7.96 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 175.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 p -61.65 -54.83 37.56 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.273 1.029 . . . . 0.0 112.86 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -57.25 -42.02 80.71 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.059 1.344 . . . . 0.0 111.593 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.1 mtm-85 -68.98 -39.86 79.17 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.845 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.08 -28.03 60.14 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.556 1.071 . . . . 0.0 113.233 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -69.13 -44.53 72.15 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.058 0.844 . . . . 0.0 111.295 170.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.03 -34.68 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 120.971 -1.081 . . . . 0.0 111.548 171.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -27.13 68.0 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.2 t -71.51 -45.16 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 120.374 1.443 . . . . 0.0 111.223 169.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -66.66 -17.73 65.0 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.3 p -114.46 -6.48 12.86 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.593 1.557 . . . . 0.0 113.57 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.3 t30 55.23 32.36 18.37 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.372 1.869 . . . . 0.0 114.748 -168.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.78 -179.28 7.25 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.578 1.551 . . . . 0.0 111.191 167.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 p -106.1 154.29 20.86 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.417 1.487 . . . . 0.0 110.507 157.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -51.21 -46.66 62.3 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -172.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.83 66.87 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -71.43 -39.87 70.76 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.863 -1.148 . . . . 0.0 111.177 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.22 -46.07 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.647 0.779 . . . . 0.0 109.896 169.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -60.99 -42.64 98.81 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.935 0.894 . . . . 0.0 112.991 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.49 -50.04 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.973 1.309 . . . . 0.0 110.475 174.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -55.68 -41.51 73.83 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.513 0.597 . . . . 0.0 112.302 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -66.67 -45.78 77.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.192 0.997 . . . . 0.0 113.407 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -70.01 -34.24 73.05 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.716 1.144 . . . . 0.0 112.412 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -65.76 -31.13 71.93 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.27 0.941 . . . . 0.0 111.716 170.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -45.6 89.38 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.41 1.005 . . . . 0.0 112.156 169.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.8 mtm-85 -63.84 -37.09 86.11 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 118.901 -0.571 . . . . 0.0 111.947 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.09 -46.6 86.61 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.819 0.736 . . . . 0.0 111.935 172.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -59.2 -42.55 91.19 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.469 1.031 . . . . 0.0 112.063 173.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -56.91 -53.2 60.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.771 0.828 . . . . 0.0 111.788 172.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -64.52 -34.26 77.82 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.683 -1.26 . . . . 0.0 113.131 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -89.83 -16.98 28.99 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.897 1.444 . . . . 0.0 114.897 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -106.3 -46.85 3.94 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.8 1.24 . . . . 0.0 113.149 171.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -105.1 -27.67 11.48 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.616 1.166 . . . . 0.0 112.926 -167.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 65.54 -29.79 0.12 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 128.86 2.864 . . . . 0.0 116.082 173.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -148.2 -41.39 0.16 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.424 1.49 . . . . 0.0 114.028 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.8 mm 61.17 145.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 125.806 1.642 . . . . 0.0 112.668 -162.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -53.99 145.38 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.03 1.332 . . . . 0.0 112.752 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 p -74.02 147.46 42.91 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.317 -0.864 . . . . 0.0 112.457 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--O 1.25 1.127 0 C-N-CA 126.267 1.827 . . . . 0.0 112.983 -166.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.542 0 O5'-C5'-C4' 114.846 3.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 1 P-O3'-C3' 124.685 4.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 0 P-O3'-C3' 123.078 2.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.443 0 O4'-C1'-N19 110.013 2.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.396 1 P-O3'-C3' 124.625 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.654 0 O5'-C5'-C4' 115.489 3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 0 O4'-C1'-N19 110.661 3.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.043 0 P-O3'-C3' 124.176 3.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.906 1 P-O3'-C3' 124.735 4.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.206 0 P-O3'-C3' 123.387 3.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.073 1 O4'-C1'-N19 113.905 7.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C4'-C3' 108.736 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 2 O4'-C1'-N19 112.874 6.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.347 0 O4'-C1'-N19 110.73 3.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 1 O4'-C1'-N19 111.39 4.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.745 0 O4'-C1'-N19 109.496 2.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C4'-C3' 108.48 2.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.912 0 C4'-C3'-O3' 118.126 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.666 1 P-O3'-C3' 125.271 4.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 O4'-C1'-N19 110.647 3.558 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.773 0 P-O3'-C3' 123.482 3.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 0 O5'-C5'-C4' 114.904 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 1 O4'-C1'-N19 111.288 4.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.614 1 O4'-C1'-N19 111.117 4.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 C4'-C3'-C2' 100.673 -2.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.013 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.4 p -99.95 97.31 8.2 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.336 1.854 . . . . 0.0 109.932 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -73.3 124.44 25.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.542 0.737 . . . . 0.0 110.538 -172.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -132.09 168.63 17.64 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.319 1.048 . . . . 0.0 112.759 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -135.26 142.29 45.91 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.782 1.233 . . . . 0.0 113.179 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -80.38 -37.8 31.6 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.915 0.886 . . . . 0.0 113.092 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.27 3.3 ttp85 46.13 62.9 2.06 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.486 2.714 . . . . 0.0 114.864 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -68.67 170.31 9.57 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.561 1.944 . . . . 0.0 115.078 -173.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -101.31 136.54 40.99 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.216 1.807 . . . . 0.0 111.48 164.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -91.2 126.54 36.31 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.875 0.761 . . . . 0.0 110.989 171.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.8 p -74.82 160.04 31.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.572 0.749 . . . . 0.0 111.992 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.0 p -55.88 -40.89 73.63 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.977 -1.077 . . . . 0.0 112.17 173.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -68.46 -31.37 70.62 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.38 -45.95 68.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.368 0.667 . . . . 0.0 111.019 170.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.02 -37.06 84.94 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -174.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.81 -43.2 85.56 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -171.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -77.54 -22.85 50.46 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.187 -0.946 . . . . 0.0 113.241 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.9 mt -74.48 -53.08 10.21 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.221 1.409 . . . . 0.0 111.39 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.4 -38.16 89.15 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.775 0.716 . . . . 0.0 112.016 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -32.79 72.51 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.1 m -72.79 -46.03 55.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.781 0.432 . . . . 0.0 110.813 171.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -59.65 -26.69 65.73 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.818 0.847 . . . . 0.0 113.281 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.67 -12.41 61.54 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.519 1.528 . . . . 0.0 114.741 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -129.69 -22.11 3.01 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -157.08 108.29 2.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.184 1.794 . . . . 0.0 109.928 -176.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -86.51 2.95 46.12 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -138.94 46.17 1.09 Allowed Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 125.105 1.362 . . . . 0.0 113.451 -171.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -60.24 129.31 29.42 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.783 2.322 . . . . 0.0 112.176 -173.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -64.3 154.61 34.73 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.15 1.78 . . . . 0.0 112.131 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 ptp -43.24 -41.28 3.82 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -78.0 -33.23 51.37 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.339 0.972 . . . . 0.0 113.192 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -70.68 -39.02 73.76 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.12 0.968 . . . . 0.0 111.378 166.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.437 HH22 ' P ' ' C' ' 81' ' ' ' DG' . 29.4 ttm180 -65.98 -37.87 87.08 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.266 1.827 . . . . 0.0 112.476 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -76.44 -24.52 53.93 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.8 -42.81 81.02 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.943 1.247 . . . . 0.0 111.038 169.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.59 -35.14 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.751 -0.593 . . . . 0.0 110.116 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.0 -30.32 70.39 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 171.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.52 -47.64 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.611 1.55 . . . . 0.0 110.671 169.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -62.67 -34.71 77.67 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.829 0.741 . . . . 0.0 112.592 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.1 p -98.35 -5.23 33.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.486 1.515 . . . . 0.0 114.569 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.06 45.49 20.87 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.277 1.831 . . . . 0.0 113.429 -173.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.9 -162.81 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.927 2.491 . . . . 0.0 110.231 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 p -125.05 158.59 33.38 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.909 2.083 . . . . 0.0 111.069 164.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -49.35 -49.36 44.68 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.753 1.621 . . . . 0.0 113.642 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.18 86.59 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -66.96 -36.69 82.77 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.832 -1.168 . . . . 0.0 112.318 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.12 -40.33 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 122.92 0.488 . . . . 0.0 110.691 168.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -60.29 -43.17 96.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.884 0.873 . . . . 0.0 112.802 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.44 -46.61 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.588 1.155 . . . . 0.0 111.378 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -60.67 -45.23 94.94 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.989 -0.444 . . . . 0.0 111.456 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.1 -44.43 95.71 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -67.29 -41.07 86.05 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.327 0.967 . . . . 0.0 112.047 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.67 -38.4 90.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.027 0.831 . . . . 0.0 112.057 173.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -33.42 73.96 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 177.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -78.25 -41.39 34.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.832 0.853 . . . . 0.0 111.528 171.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.91 -19.94 61.3 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -52.98 -27.3 18.49 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.013 1.279 . . . . 0.0 113.512 172.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -59.23 -51.24 70.84 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.021 0.828 . . . . 0.0 111.398 169.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -59.83 -45.71 91.51 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.377 -0.827 . . . . 0.0 110.964 174.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.44 -13.93 45.25 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -116.05 -29.86 6.19 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.139 1.375 . . . . 0.0 114.35 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -132.67 -26.45 1.8 Allowed 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 -166.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 56.39 -20.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 118.146 2.647 . . . . 0.0 118.146 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -155.34 -38.91 0.09 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.217 1.807 . . . . 0.0 113.54 -174.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mm -68.71 124.18 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.752 0.821 . . . . 0.0 110.153 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 p -121.51 141.41 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.05 0.94 . . . . 0.0 113.058 -162.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.8 p -139.6 5.36 2.21 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.487 1.915 . . . . 0.0 113.689 -171.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.797 1.639 . . . . 0.0 114.049 -171.052 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.507 0 O4'-C1'-N19 110.559 3.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.253 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 P-O3'-C3' 124.292 3.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 0 O4'-C4'-C3' 108.533 2.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.256 1 O4'-C1'-N19 112.788 6.235 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.259 0 O4'-C1'-N19 109.776 2.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C4'-C3' 108.767 3.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 P-O3'-C3' 124.247 3.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.707 0 P-O3'-C3' 122.994 2.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.792 0 O4'-C4'-C3' 108.264 2.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C1'-N19 113.656 7.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.122 0 O5'-C5'-C4' 114.473 3.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.663 1 O4'-C1'-N19 113.202 6.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.364 0 O4'-C4'-C3' 108.363 2.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . 0.437 ' P ' HH22 ' A' ' 31' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.715 1 O4'-C1'-N19 112.773 6.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.085 0 O5'-C5'-C4' 114.672 3.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.676 0 P-O3'-C3' 122.353 2.211 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.013 0 O4'-C4'-C3' 108.927 3.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.467 2 P-O3'-C3' 124.629 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.484 1 O4'-C1'-N19 111.282 4.353 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.652 0 O4'-C1'-N19 110.425 3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 0 O4'-C1'-N19 110.003 2.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.525 0 O4'-C1'-N19 110.372 3.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.348 3.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 P-O3'-C3' 124.111 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.793 0 O4'-C1'-N19 110.159 2.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.123 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.5 m 44.13 62.24 2.05 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 175.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -118.7 120.7 38.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.575 1.55 . . . . 0.0 109.091 174.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -64.13 151.24 43.8 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.644 1.111 . . . . 0.0 112.217 -177.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -105.54 174.02 6.06 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.307 1.443 . . . . 0.0 111.626 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -147.52 175.83 10.53 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.567 1.547 . . . . 0.0 110.373 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.434 ' NH1' ' H21' ' C' ' 89' ' ' ' DG' . 35.1 mtp85 -129.03 108.94 10.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.808 0.843 . . . . 0.0 110.176 162.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -83.34 164.2 20.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.72 0.808 . . . . 0.0 112.734 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -101.43 147.3 26.51 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.484 1.514 . . . . 0.0 111.351 165.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -125.12 132.38 53.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.942 1.697 . . . . 0.0 109.111 168.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.8 p -85.55 152.72 22.94 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.581 -0.699 . . . . 0.0 111.977 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -52.76 -37.32 59.33 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.563 1.145 . . . . 0.0 112.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.63 -31.32 71.4 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.34 1.056 . . . . 0.0 113.491 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -79.11 -47.81 15.45 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.865 0.866 . . . . 0.0 110.828 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.2 -36.51 66.02 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.525 1.13 . . . . 0.0 112.408 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.96 -9.66 10.73 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -99.35 -31.9 11.44 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 121.081 1.764 . . . . 0.0 112.631 165.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.4 -46.62 39.09 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.439 -0.788 . . . . 0.0 110.981 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.64 -37.06 73.73 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.39 -0.819 . . . . 0.0 112.548 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.73 -13.82 62.63 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.702 1.201 . . . . 0.0 113.0 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.4 m -89.03 -54.15 4.26 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.409 1.084 . . . . 0.0 110.351 165.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.87 -28.55 66.23 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 114.209 -173.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -9.37 58.79 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 177.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -123.59 -20.59 5.48 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.482 1.513 . . . . 0.0 114.601 174.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -148.94 114.35 5.57 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.128 1.371 . . . . 0.0 111.562 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -70.29 -19.81 63.07 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.475 1.51 . . . . 0.0 113.834 169.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.466 ' CD2' " H4'" ' C' ' 82' ' ' ' DG' . 63.0 m-85 -119.58 54.26 2.75 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.071 1.348 . . . . 0.0 113.034 -167.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -69.35 125.07 11.9 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.613 2.209 . . . . 0.0 110.601 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.93 170.81 11.91 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -175.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.0 ptp -48.97 -32.15 8.64 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 175.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -80.37 -41.7 24.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 118.861 0.755 . . . . 0.0 112.255 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.1 m -59.13 -42.13 89.9 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.99 0.916 . . . . 0.0 110.51 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -68.31 -38.58 81.75 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.415 1.086 . . . . 0.0 112.909 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.6 -28.48 62.81 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.147 1.339 . . . . 0.0 112.962 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.13 -48.22 74.35 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.139 0.881 . . . . 0.0 111.274 168.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.85 -40.89 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.529 -0.732 . . . . 0.0 110.514 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.89 -23.25 67.17 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.8 t -76.19 -51.76 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.724 1.147 . . . . 0.0 110.267 167.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -66.03 -23.0 66.47 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -174.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.8 p -119.75 2.24 11.1 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.8 t30 50.34 44.49 26.6 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.121 1.769 . . . . 0.0 114.999 -170.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.08 -172.84 2.94 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.672 1.189 . . . . 0.0 109.948 168.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 p -112.6 164.85 12.83 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 152.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -52.11 -42.38 63.23 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.323 -0.861 . . . . 0.0 111.403 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.53 81.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.628 0.771 . . . . 0.0 112.767 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -66.17 -41.41 90.36 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.553 1.07 . . . . 0.0 111.628 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.52 -42.89 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 122.945 0.498 . . . . 0.0 110.035 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -59.42 -24.2 63.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.186 1.394 . . . . 0.0 114.027 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.9 t -83.6 -46.04 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.828 1.251 . . . . 0.0 112.316 172.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -61.71 -40.31 94.58 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.79 0.723 . . . . 0.0 112.107 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -65.87 -48.34 71.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.091 0.957 . . . . 0.0 112.785 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -66.98 -25.51 66.35 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.815 1.189 . . . . 0.0 113.299 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -76.02 -26.95 57.15 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 121.052 -1.03 . . . . 0.0 112.89 168.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -34.56 72.57 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.344 -1.472 . . . . 0.0 112.821 170.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -56.94 -50.8 71.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.744 0.818 . . . . 0.0 111.002 162.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.55 74.64 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -57.51 -49.15 77.27 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.369 0.986 . . . . 0.0 112.087 171.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -61.99 -45.25 94.44 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.418 0.687 . . . . 0.0 111.405 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -56.79 -44.26 81.72 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.962 1.305 . . . . 0.0 112.299 175.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -80.43 -31.53 37.54 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -87.93 -34.12 18.23 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -138.45 -3.86 1.68 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -173.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 57.37 -57.55 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 128.566 2.746 . . . . 0.0 114.888 -165.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -142.89 -14.13 0.73 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.952 1.301 . . . . 0.0 114.309 172.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.7 mt -78.67 129.95 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 118.919 0.781 . . . . 0.0 112.512 -158.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.55 126.99 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.681 1.592 . . . . 0.0 110.576 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.5 t -115.36 -34.06 5.08 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.503 1.521 . . . . 0.0 112.347 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.6 t0 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 126.193 1.797 . . . . 0.0 114.033 -165.482 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C4'-C3' 108.968 3.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.392 0 O4'-C4'-C3' 109.228 3.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 1 O4'-C1'-N19 111.705 4.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.59 3.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.326 1 O5'-C5'-C4' 115.863 4.045 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 2 O5'-C5'-C4' 117.047 4.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.7 1 P-O3'-C3' 125.042 4.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.048 0 O4'-C4'-C3' 108.616 3.016 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 112.426 5.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.567 1 P-O3'-C3' 125.071 4.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.985 0 O5'-C5'-C4' 114.231 2.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 1 O4'-C1'-N19 111.228 4.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.175 1 O4'-C1'-N19 111.562 4.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.852 0 O4'-C1'-N19 110.167 2.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . 0.466 " H4'" ' CD2' ' A' ' 25' ' ' TYR . . . . . . . . 0 C5'--C4' 1.532 2.642 1 O4'-C1'-N19 112.802 6.252 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 0 O4'-C1'-N19 110.533 3.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C4'-C3' 108.4 2.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 1 P-O3'-C3' 125.788 5.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 1 O4'-C1'-N19 111.964 5.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 0 O4'-C4'-C3' 109.071 3.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.681 0 P-O3'-C3' 123.787 3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . 0.434 ' H21' ' NH1' ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.413 -3.02 1 O4'-C1'-N19 111.831 5.038 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.606 0 O5'-C5'-C4' 113.273 2.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 0 O5'-C5'-C4' 114.398 2.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.347 2 O4'-C1'-N19 111.508 4.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.094 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 86.7 p -106.58 142.98 35.35 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.352 1.061 . . . . 0.0 113.566 -174.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -76.74 1.92 15.81 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -159.27 173.16 16.75 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.701 2.401 . . . . 0.0 110.348 169.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -77.0 168.67 19.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 122.57 1.176 . . . . 0.0 113.838 169.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.59 173.76 11.18 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.106 1.762 . . . . 0.0 113.097 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -139.8 152.91 46.92 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.074 1.349 . . . . 0.0 110.768 149.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.4 m 44.53 108.41 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.01 1 C-N-CA 131.802 4.041 . . . . 0.0 117.384 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -114.88 28.27 8.84 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.915 1.286 . . . . 0.0 113.35 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -128.27 131.6 48.72 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.45 1.1 . . . . 0.0 112.377 -173.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.3 p -101.09 164.66 11.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.452 1.901 . . . . 0.0 110.165 164.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.3 m -60.6 -36.58 78.92 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.268 -1.52 . . . . 0.0 112.305 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -64.11 -29.1 70.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.858 1.263 . . . . 0.0 113.328 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -80.54 -42.32 22.61 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.086 0.954 . . . . 0.0 111.317 171.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.78 -34.44 77.25 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.089 1.356 . . . . 0.0 112.979 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.05 -22.57 65.86 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 173.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -87.14 -33.54 19.39 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.666 1.575 . . . . 0.0 111.78 171.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.26 -45.12 74.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.321 1.048 . . . . 0.0 111.879 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -72.84 -34.15 66.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.379 -0.826 . . . . 0.0 112.654 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.85 -27.73 66.95 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.685 -0.634 . . . . 0.0 112.502 173.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.1 m -68.89 -53.19 22.54 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.5 0.72 . . . . 0.0 110.54 166.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -54.06 -37.04 63.75 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.921 0.782 . . . . 0.0 112.864 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -63.45 -24.84 68.0 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -106.88 -28.99 9.76 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.925 1.239 . . . . 0.0 113.997 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -151.11 119.27 6.3 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.504 1.522 . . . . 0.0 111.367 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -76.84 -20.25 56.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.59 1.156 . . . . 0.0 113.494 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -141.35 78.91 18.11 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.508 1.523 . . . . 0.0 111.332 -171.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.25 165.29 22.56 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.135 2.557 . . . . 0.0 113.129 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.8 158.49 24.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.733 1.613 . . . . 0.0 112.085 173.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.8 ptm -53.03 -33.44 51.81 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.014 -1.054 . . . . 0.0 113.071 164.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -75.67 -14.43 60.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.69 1.196 . . . . 0.0 113.745 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.2 m -101.01 -40.13 7.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.894 1.678 . . . . 0.0 111.581 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -56.96 -33.03 66.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.442 -0.786 . . . . 0.0 112.511 174.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -70.42 -29.06 65.57 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 173.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -74.95 -45.7 40.54 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.03 1.286 . . . . 0.0 110.643 178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.22 -41.26 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.246 1.018 . . . . 0.0 109.836 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.78 89.91 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.994 0.918 . . . . 0.0 113.31 174.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.35 -38.99 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 119.927 1.24 . . . . 0.0 111.885 173.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -70.67 -29.21 65.48 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.7 p -106.38 -6.86 17.97 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -172.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 t30 69.91 9.65 7.19 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.263 2.225 . . . . 0.0 115.617 -170.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.08 -178.14 1.55 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.949 1.299 . . . . 0.0 111.66 169.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.9 p -119.23 156.55 29.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.57 1.548 . . . . 0.0 110.217 159.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -42.5 -52.0 4.86 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.423 1.889 . . . . 0.0 114.384 -174.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.86 -21.33 66.4 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -83.31 -35.8 24.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.503 1.121 . . . . 0.0 111.54 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.19 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.152 0.581 . . . . 0.0 110.046 166.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -57.51 -43.32 84.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.809 1.244 . . . . 0.0 112.215 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.19 -53.46 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.401 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -59.31 -42.35 91.18 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.751 1.16 . . . . 0.0 111.994 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.31 -54.89 38.09 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.598 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -67.76 -38.24 83.16 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.245 0.93 . . . . 0.0 112.757 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -68.01 -34.85 77.29 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.508 -0.745 . . . . 0.0 112.027 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -73.74 -23.32 59.73 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 117.694 -1.146 . . . . 0.0 113.479 170.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -69.79 -47.99 60.85 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 120.632 1.56 . . . . 0.0 110.035 164.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.83 -30.48 67.69 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.75 1.22 . . . . 0.0 113.153 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -53.07 -36.65 60.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.33 1.052 . . . . 0.0 112.393 173.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -68.89 -46.42 68.43 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.21 0.604 . . . . 0.0 111.632 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -90.84 -13.38 33.86 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -169.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -70.74 -50.1 39.72 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.373 -0.829 . . . . 0.0 109.966 160.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -69.06 -43.63 74.23 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -135.02 43.5 2.69 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.672 1.189 . . . . 0.0 113.694 -165.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.34 -20.99 63.86 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 119.299 -2.126 . . . . 0.0 110.753 149.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -66.94 -19.21 65.68 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.791 1.637 . . . . 0.0 114.494 169.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 mt -129.32 100.23 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.298 1.039 . . . . 0.0 110.263 -176.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.9 t -139.53 124.75 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.544 1.937 . . . . 0.0 108.925 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.5 p 57.69 -9.43 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 128.173 2.589 . . . . 0.0 117.114 -174.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.256 1.415 0 C-N-CA 126.736 2.014 . . . . 0.0 113.931 -178.478 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.4 0 O5'-C5'-C4' 114.882 3.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.333 1 P-O3'-C3' 125.068 4.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 0 P-O3'-C3' 123.623 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.132 0 C1'-O4'-C4' 105.482 -3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.438 0 N19-C1'-C2' 118.817 2.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.461 0 P-O3'-C3' 123.113 2.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.425 0 O4'-C4'-C3' 109.559 3.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 1 O4'-C1'-N19 112.273 5.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 0 O4'-C1'-N19 110.468 3.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.203 0 O5'-C5'-C4' 114.371 2.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.126 2 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.208 0 O5'-C5'-C4' 114.961 3.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 1 O4'-C1'-N19 113.006 6.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.054 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.104 1 O4'-C1'-N19 114.193 7.991 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.972 0 P-O3'-C3' 123.534 3.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.47 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.114 0 O4'-C4'-C3' 109.191 3.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 0 O5'-C5'-C4' 115.086 3.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.494 0 O4'-C4'-C3' 108.404 2.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.48 0 P-O3'-C3' 123.56 3.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 0 O4'-C1'-N19 110.627 3.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.513 0 O4'-C1'-N19 110.73 3.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 1 O4'-C1'-N19 112.066 5.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 0 P-O3'-C3' 124.022 3.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.28 0 O4'-C4'-C3' 108.38 2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.103 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 75.2 m -80.01 156.59 27.09 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 117.896 0.848 . . . . 0.0 113.214 176.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -80.15 133.89 36.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.937 1.295 . . . . 0.0 112.625 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.36 140.96 30.76 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.845 1.258 . . . . 0.0 111.494 166.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 54.71 119.48 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 128.529 2.731 . . . . 0.0 115.361 -171.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -71.8 -30.51 65.6 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 21.54 81.93 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 130.013 3.325 . . . . 0.0 113.909 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.4 t -69.91 166.0 20.45 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -122.85 73.99 1.18 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.011 2.124 . . . . 0.0 111.181 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -50.29 148.72 3.38 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.785 1.634 . . . . 0.0 114.178 -175.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.4 p -68.4 155.32 40.08 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.572 -0.705 . . . . 0.0 110.423 163.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -65.22 -25.56 67.75 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.836 -1.165 . . . . 0.0 111.055 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -62.75 -38.08 89.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.571 1.148 . . . . 0.0 112.813 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -68.78 -44.94 72.59 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.179 0.9 . . . . 0.0 111.004 172.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.56 -37.26 85.47 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -63.58 -26.35 68.65 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -83.94 -32.64 24.95 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.793 1.179 . . . . 0.0 112.098 171.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.3 mt -67.86 -50.34 57.06 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.916 0.887 . . . . 0.0 111.568 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.98 -40.03 83.18 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.022 0.828 . . . . 0.0 112.263 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.0 79.76 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.936 -0.477 . . . . 0.0 111.634 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.4 m -70.02 -48.05 59.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 118.875 -0.583 . . . . 0.0 111.096 171.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -56.95 -34.83 68.41 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.144 0.978 . . . . 0.0 112.546 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -71.74 -14.32 61.98 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -116.01 -17.81 10.82 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -156.21 120.2 4.44 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.029 1.331 . . . . 0.0 111.348 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -106.39 6.23 30.22 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.399 1.879 . . . . 0.0 113.93 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -136.63 58.87 21.57 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 126.971 2.108 . . . . 0.0 112.091 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.14 159.55 46.29 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.787 2.325 . . . . 0.0 112.565 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -90.47 159.42 16.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.83 1.652 . . . . 0.0 113.155 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.6 ptp -48.02 -40.55 23.09 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 173.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -90.65 -6.06 55.04 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.6 m -86.32 -35.96 19.56 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.665 1.186 . . . . 0.0 110.832 161.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -64.77 -39.76 94.14 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.566 1.147 . . . . 0.0 112.096 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.71 -26.04 61.44 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 174.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -66.88 -47.77 70.8 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.379 0.991 . . . . 0.0 110.987 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.29 -36.55 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.261 0.624 . . . . 0.0 110.35 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.42 -19.21 63.01 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.47 -52.3 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 120.67 1.577 . . . . 0.0 109.81 164.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -59.19 -40.82 86.92 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.634 0.773 . . . . 0.0 112.254 -174.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 p -94.93 -6.48 42.42 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.007 1.323 . . . . 0.0 113.957 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 57.01 32.94 22.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.798 2.039 . . . . 0.0 115.086 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.21 -171.51 3.47 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.174 2.19 . . . . 0.0 111.175 171.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.4 162.81 12.71 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.308 -0.87 . . . . 0.0 109.411 157.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.74 -46.94 64.21 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.827 0.851 . . . . 0.0 111.88 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.26 90.08 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -61.97 -34.15 75.61 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 120.845 -1.159 . . . . 0.0 112.017 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.6 -45.32 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.083 0.953 . . . . 0.0 110.688 173.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -53.44 -40.35 65.15 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.738 1.215 . . . . 0.0 112.029 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -72.43 -36.0 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 127.12 2.168 . . . . 0.0 112.805 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.3 t90 -65.88 -42.69 90.02 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.552 1.069 . . . . 0.0 111.196 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -62.11 -41.77 98.55 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -73.81 -28.79 61.8 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -76.65 -27.94 55.84 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.515 0.598 . . . . 0.0 112.419 170.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -69.17 -33.42 73.37 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.904 -1.123 . . . . 0.0 113.331 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.9 ptm85 -74.95 -31.99 61.62 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 167.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.81 85.71 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.226 -0.921 . . . . 0.0 112.107 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -61.15 -22.87 65.11 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 170.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -77.97 -52.16 9.25 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.359 0.981 . . . . 0.0 110.943 167.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -55.37 -39.66 70.36 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -85.39 -1.97 57.58 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -115.65 -35.18 4.61 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.638 1.575 . . . . 0.0 112.756 165.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -139.87 -103.61 0.16 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.811 1.644 . . . . 0.0 114.505 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 55.31 -30.74 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.984 2.113 . . . . 0.0 115.392 -152.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -68.62 -13.36 62.3 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.498 -1.377 . . . . 0.0 113.261 166.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mm -105.02 140.73 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.679 1.592 . . . . 0.0 107.708 158.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.2 p -131.61 142.69 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.032 0.933 . . . . 0.0 111.487 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -70.06 139.53 52.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.932 0.893 . . . . 0.0 110.7 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--O 1.248 0.991 0 C-N-CA 125.679 1.592 . . . . 0.0 111.986 -179.659 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.682 0 O4'-C1'-N19 110.177 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.725 0 O5'-C5'-C4' 114.856 3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.148 0 P-O3'-C3' 123.997 3.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.679 0 P-O3'-C3' 124.073 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.227 1 O4'-C1'-N19 112.011 5.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.597 0 O5'-C5'-C4' 113.794 2.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.265 0 O4'-C1'-N19 110.974 3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.304 2 O4'-C1'-N19 113.204 6.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.309 0 O5'-C5'-C4' 114.904 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.984 0 O4'-C1'-N19 110.801 3.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.017 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.072 0 P-O3'-C3' 123.872 3.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.576 2 O4'-C1'-N19 111.656 4.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.269 0 O4'-C1'-N19 110.118 2.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 1 O4'-C1'-N19 112.395 5.744 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 O3'-P-O5' 97.492 -3.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.869 0 O4'-C1'-N19 109.697 2.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.721 3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 1 P-O3'-C3' 124.827 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.686 1 O4'-C1'-N19 111.475 4.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.922 0 O4'-C1'-N19 110.606 3.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' ' DA' . . . . . 0.496 " H1'" ' C8 ' ' C' ' 89' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 112.33 5.663 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' ' DG' . . . . . 0.496 ' C8 ' " H1'" ' C' ' 88' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.216 0 O4'-C1'-N19 110.942 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.646 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.454 0 P-O3'-C3' 124.111 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.746 0 P-O3'-C3' 122.915 2.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.394 0.616 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -58.41 -29.34 66.01 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.22 -0.925 . . . . 0.0 113.478 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -61.6 -38.0 85.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.62 -0.705 . . . . 0.0 112.035 172.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -64.41 -46.23 84.15 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.408 1.004 . . . . 0.0 110.049 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.06 -36.87 78.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.932 0.893 . . . . 0.0 111.797 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.66 -19.23 65.17 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -95.81 -36.55 11.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.184 1.356 . . . . 0.0 112.227 167.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.5 mt -66.73 -46.21 76.2 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.761 0.825 . . . . 0.0 111.929 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.02 -39.86 75.57 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.078 0.853 . . . . 0.0 112.276 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.05 66.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.93 0.892 . . . . 0.0 112.289 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -87.48 -41.74 13.3 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.74 0.816 . . . . 0.0 111.498 170.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -62.27 -24.04 67.05 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.766 1.227 . . . . 0.0 113.799 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -9.97 59.65 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt-85 -120.97 -21.94 6.35 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.629 1.572 . . . . 0.0 114.646 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -152.75 105.99 3.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.619 1.567 . . . . 0.0 110.45 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -82.06 -14.6 55.61 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -135.41 61.4 44.04 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.95 1.3 . . . . 0.0 112.857 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -69.7 139.24 39.94 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.521 2.814 . . . . 0.0 114.297 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.43 156.91 35.41 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.026 2.13 . . . . 0.0 112.63 169.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 ptp -54.47 -34.52 61.69 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.967 -1.083 . . . . 0.0 113.76 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.2 p -59.1 -27.75 65.86 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.938 1.295 . . . . 0.0 113.205 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.4 m -94.54 -38.25 10.98 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.799 1.639 . . . . 0.0 111.847 173.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -62.76 -31.82 72.85 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.246 -0.909 . . . . 0.0 112.227 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.83 -28.94 63.9 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 171.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.27 -46.66 69.81 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.889 1.222 . . . . 0.0 110.743 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -54.91 -37.71 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.95 0.9 . . . . 0.0 110.727 174.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.76 78.92 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.059 0.944 . . . . 0.0 113.482 173.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.53 -45.15 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 120.029 1.286 . . . . 0.0 110.909 172.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -68.84 -16.24 63.72 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 p -116.04 -10.65 11.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.69 1.596 . . . . 0.0 113.874 -175.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.308 2.9 t30 60.68 28.77 18.48 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 127.73 2.412 . . . . 0.0 115.101 -166.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.82 -168.23 2.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.771 1.628 . . . . 0.0 110.589 169.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 p -130.46 159.06 38.2 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.237 2.215 . . . . 0.0 109.753 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -54.61 -42.07 70.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.7 1.2 . . . . 0.0 113.78 -167.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.52 74.84 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.712 -0.618 . . . . 0.0 112.572 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -65.84 -40.62 91.91 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.062 0.945 . . . . 0.0 110.938 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.16 -44.89 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.701 0.8 . . . . 0.0 110.469 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -62.43 -45.79 91.48 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.624 0.77 . . . . 0.0 112.961 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 m -67.73 -33.14 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 118.394 -0.812 . . . . 0.0 111.573 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -62.97 -47.18 84.29 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.352 0.978 . . . . 0.0 111.166 170.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.38 -45.3 84.62 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.55 -35.01 76.84 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.905 1.23 . . . . 0.0 112.254 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -65.42 -34.16 77.64 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.618 1.099 . . . . 0.0 112.313 169.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.802 0 CA-C-N 120.374 1.443 . . . . 0.0 112.366 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 121.739 0.78 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -56.39 -37.64 70.41 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.66 1.184 . . . . 0.0 113.194 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -68.32 -28.61 67.31 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.481 -0.762 . . . . 0.0 112.834 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -75.07 -44.16 49.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.963 0.905 . . . . 0.0 110.736 171.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.62 -34.34 69.19 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.173 0.989 . . . . 0.0 112.783 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -61.58 -17.08 53.51 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -90.15 -38.3 13.6 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.834 1.652 . . . . 0.0 112.464 165.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.15 -47.03 66.11 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.981 0.913 . . . . 0.0 112.057 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.45 -38.47 77.81 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.642 -0.661 . . . . 0.0 112.116 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.78 78.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.891 0.876 . . . . 0.0 112.042 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.9 m -68.26 -49.13 62.67 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.077 0.551 . . . . 0.0 110.698 172.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -56.53 -33.27 65.9 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.31 0.959 . . . . 0.0 113.416 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -72.01 -5.13 32.84 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -136.13 -15.61 1.71 Allowed 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -158.83 119.54 3.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.495 1.918 . . . . 0.0 111.386 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -86.37 -12.45 49.24 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 171.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -131.1 67.47 80.76 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.976 1.31 . . . . 0.0 112.298 -168.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -69.6 132.98 24.73 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.227 2.618 . . . . 0.0 111.566 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -73.81 163.21 28.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.072 1.349 . . . . 0.0 112.734 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -53.13 -33.18 51.23 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 172.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.9 p -75.28 -18.29 60.1 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.777 1.631 . . . . 0.0 113.666 176.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.2 m -102.12 -38.75 7.58 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.657 1.583 . . . . 0.0 111.776 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -61.8 -32.04 72.31 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.218 -0.926 . . . . 0.0 111.945 173.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.85 -31.51 64.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 117.915 -1.04 . . . . 0.0 113.684 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -65.15 -48.7 72.6 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.043 1.292 . . . . 0.0 110.36 170.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.3 mt -55.21 -40.37 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.74 0.816 . . . . 0.0 110.706 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.18 -30.75 70.79 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.86 -54.58 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 120.202 1.365 . . . . 0.0 110.116 170.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -64.35 -23.56 67.34 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -108.41 3.01 22.82 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.927 1.691 . . . . 0.0 114.485 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.1 t30 53.18 40.23 30.92 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.045 1.738 . . . . 0.0 114.36 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.1 -178.01 3.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.466 1.906 . . . . 0.0 111.331 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.2 p -114.67 158.45 21.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.813 1.245 . . . . 0.0 109.496 153.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -62.67 -30.3 71.29 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.558 -1.339 . . . . 0.0 113.289 -169.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.35 -41.03 68.65 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.947 0.899 . . . . 0.0 112.326 173.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 mmm-85 -71.17 -32.28 68.72 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.654 -0.654 . . . . 0.0 111.904 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.09 -42.68 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.353 0.661 . . . . 0.0 110.678 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -63.56 -43.84 95.86 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.864 1.265 . . . . 0.0 111.722 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 t -56.49 -47.18 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.9 1.68 . . . . 0.0 111.34 170.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -62.45 -46.23 89.49 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.783 0.72 . . . . 0.0 111.581 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -63.58 -49.21 74.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.706 0.684 . . . . 0.0 112.682 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -34.03 74.78 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.807 1.185 . . . . 0.0 112.903 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -73.51 -22.85 60.01 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 120.773 -1.204 . . . . 0.0 112.856 170.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 . . . . . 0 N--CA 1.477 0.911 0 O-C-N 120.278 -1.514 . . . . 0.0 111.924 166.655 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.646 0.26 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 m -66.11 -17.51 64.76 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.918 -1.114 . . . . 0.0 113.286 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -70.07 -35.14 74.01 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.934 -1.104 . . . . 0.0 111.049 168.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -80.56 -48.49 12.64 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.631 0.773 . . . . 0.0 111.6 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.5 -36.72 79.03 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.398 1.079 . . . . 0.0 112.694 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -66.39 -24.46 66.48 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -77.73 -40.43 41.17 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.525 1.057 . . . . 0.0 110.656 170.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 mt -71.48 -48.92 46.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.918 1.687 . . . . 0.0 112.862 -175.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.9 -39.01 83.67 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.109 0.868 . . . . 0.0 112.626 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.13 77.49 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.893 -0.504 . . . . 0.0 111.048 175.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.2 m -66.08 -45.81 79.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.737 0.415 . . . . 0.0 111.126 169.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -58.72 -36.84 74.93 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.203 0.911 . . . . 0.0 112.579 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -70.58 -8.89 54.96 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -115.29 -23.66 8.81 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 172.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -156.64 113.55 3.1 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.008 1.723 . . . . 0.0 110.382 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.5 mtm-85 -78.38 -9.5 59.3 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -134.5 54.05 10.89 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.098 1.359 . . . . 0.0 113.622 -164.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -62.08 134.86 51.61 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.962 2.441 . . . . 0.0 113.091 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.69 165.45 25.04 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.65 1.58 . . . . 0.0 112.872 176.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -51.13 -33.13 25.31 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -77.29 -31.95 55.11 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.58 0.752 . . . . 0.0 112.368 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.4 m -76.56 -40.34 50.07 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.313 -0.867 . . . . 0.0 111.371 171.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -63.46 -32.84 74.4 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.06 -1.025 . . . . 0.0 112.293 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.89 -29.03 50.02 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.89 -44.69 88.79 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.512 1.505 . . . . 0.0 111.515 170.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.8 mt -55.7 -39.4 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.41 0.684 . . . . 0.0 110.25 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.24 -22.25 62.92 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 175.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.3 t -76.87 -38.48 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 120.472 1.487 . . . . 0.0 111.14 169.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -69.3 -43.9 72.88 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.098 0.863 . . . . 0.0 112.108 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -88.2 -6.89 57.58 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 t30 53.74 37.6 26.6 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.803 1.241 . . . . 0.0 113.644 -170.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -102.09 -154.19 0.48 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.214 1.806 . . . . 0.0 110.194 174.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.47 149.37 45.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.622 1.569 . . . . 0.0 110.99 174.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -50.23 -47.36 54.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.605 1.562 . . . . 0.0 114.857 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.66 -27.4 65.96 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.593 1.088 . . . . 0.0 112.386 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -65.24 -38.27 89.84 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.967 -1.083 . . . . 0.0 111.025 171.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.73 -39.24 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.713 0.805 . . . . 0.0 110.794 171.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -58.13 -48.25 80.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.984 1.314 . . . . 0.0 111.83 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 m -74.87 -23.53 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -65.18 -51.16 62.79 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.302 0.956 . . . . 0.0 110.461 167.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.71 -41.08 98.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 118.532 -0.747 . . . . 0.0 112.745 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -61.96 -42.33 99.0 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.556 1.071 . . . . 0.0 112.623 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -75.71 -26.62 57.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.454 0.57 . . . . 0.0 112.395 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 CA-C-N 118.643 0.656 . . . . 0.0 112.098 169.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -55.33 -35.77 65.52 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.64 -0.662 . . . . 0.0 112.426 174.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -62.21 -30.55 71.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.434 0.694 . . . . 0.0 112.843 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -82.23 -47.38 12.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.827 0.851 . . . . 0.0 111.378 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.54 -28.46 69.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.285 1.034 . . . . 0.0 113.423 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -49.43 -39.48 33.07 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.031 1.732 . . . . 0.0 113.311 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -82.29 -25.95 33.53 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.951 0.796 . . . . 0.0 112.665 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -75.34 -45.94 36.33 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.085 0.954 . . . . 0.0 110.996 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -65.42 -39.46 92.15 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.772 0.714 . . . . 0.0 112.255 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.82 -32.74 74.35 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.1 m -76.58 -44.72 33.42 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.472 0.709 . . . . 0.0 111.129 174.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -56.74 -35.89 69.11 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.251 1.02 . . . . 0.0 112.866 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.93 -16.27 49.58 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -123.82 -30.51 3.54 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -147.22 118.71 7.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.824 1.25 . . . . 0.0 110.279 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -93.95 -6.52 45.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.32 1.048 . . . . 0.0 113.223 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -131.06 63.13 69.25 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.054 1.341 . . . . 0.0 113.49 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -71.68 133.56 22.35 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 123.541 2.827 . . . . 0.0 112.947 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.41 152.49 29.56 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.025 1.33 . . . . 0.0 112.832 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.5 ptp -47.02 -37.65 9.61 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.022 1.329 . . . . 0.0 114.137 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 t -69.74 -35.02 74.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.19 0.596 . . . . 0.0 111.896 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m -74.56 -36.72 63.08 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.057 0.943 . . . . 0.0 111.519 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -61.25 -37.61 83.7 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 118.519 -0.753 . . . . 0.0 112.076 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -73.8 -30.83 62.95 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.54 -45.06 92.29 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.517 1.508 . . . . 0.0 110.946 170.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.8 mt -57.29 -36.56 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.443 -0.786 . . . . 0.0 111.042 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.98 -19.21 61.26 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.73 -42.36 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 120.347 1.43 . . . . 0.0 110.027 166.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -65.14 -45.31 85.57 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.236 0.614 . . . . 0.0 111.652 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 p -98.99 0.71 44.45 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -172.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 58.07 43.85 20.27 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.396 1.479 . . . . 0.0 113.263 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mp -105.63 -158.15 0.65 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.167 2.187 . . . . 0.0 110.367 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.9 p -129.47 168.06 16.9 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.919 1.287 . . . . 0.0 109.414 157.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -49.94 -45.91 51.68 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.615 -0.678 . . . . 0.0 112.268 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.04 99.55 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.487 0.715 . . . . 0.0 112.045 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -62.42 -36.75 83.35 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.248 -0.908 . . . . 0.0 112.737 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.65 -44.45 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.003 0.521 . . . . 0.0 110.382 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -56.07 -47.75 77.39 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.598 1.159 . . . . 0.0 112.237 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.37 -36.68 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 118.892 -0.575 . . . . 0.0 112.105 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -60.67 -38.19 84.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.819 0.736 . . . . 0.0 112.058 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -71.11 -47.27 59.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.284 -0.865 . . . . 0.0 113.216 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -64.74 -35.8 82.22 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 120.68 1.582 . . . . 0.0 112.124 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -65.98 -24.35 66.76 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.543 -0.723 . . . . 0.0 112.804 170.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 119.859 1.209 . . . . 0.0 113.658 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.974 0.416 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 m -61.52 -36.17 79.78 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.511 -1.368 . . . . 0.0 112.566 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.64 -29.03 69.01 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.481 -0.762 . . . . 0.0 112.456 172.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -78.21 -47.82 17.18 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.097 0.862 . . . . 0.0 110.95 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.53 -41.68 86.03 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.132 0.973 . . . . 0.0 112.496 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -61.03 -30.43 70.31 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -86.73 -29.34 22.46 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.556 1.071 . . . . 0.0 112.359 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.84 -45.05 75.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.643 0.777 . . . . 0.0 111.341 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -68.49 -37.83 80.47 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.319 -0.863 . . . . 0.0 112.888 174.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -20.02 66.24 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.874 0.87 . . . . 0.0 112.58 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -84.2 -49.45 8.81 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.572 1.149 . . . . 0.0 111.19 168.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.87 -36.32 74.42 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.286 -0.884 . . . . 0.0 112.823 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -4.84 16.9 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 176.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -118.47 -24.26 6.88 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 167.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -151.9 113.66 4.41 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.295 1.038 . . . . 0.0 112.313 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -80.73 -11.16 59.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.7 1.2 . . . . 0.0 114.082 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -143.34 56.39 4.59 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.384 1.474 . . . . 0.0 114.272 -169.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -61.23 141.98 94.91 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.176 2.584 . . . . 0.0 112.991 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.46 154.7 31.42 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.901 1.28 . . . . 0.0 112.374 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 ptm -49.53 -40.2 37.13 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.141 0.976 . . . . 0.0 113.129 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -74.14 -17.47 60.92 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.5 m -92.9 -39.72 11.0 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.091 1.756 . . . . 0.0 111.545 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -57.74 -35.12 70.28 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.048 0.939 . . . . 0.0 112.136 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.9 -18.03 60.48 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.96 -44.1 27.8 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 120.575 1.534 . . . . 0.0 110.984 169.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.9 mt -56.08 -33.94 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.193 0.997 . . . . 0.0 110.681 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.33 -20.37 66.07 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.68 -53.56 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 120.462 1.483 . . . . 0.0 110.614 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -61.94 -38.55 88.87 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.899 0.879 . . . . 0.0 111.137 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -86.76 -8.47 57.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.971 1.709 . . . . 0.0 114.218 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.4 t30 59.95 24.84 13.97 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 125.219 1.407 . . . . 0.0 114.17 -173.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.74 -173.64 4.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.074 1.75 . . . . 0.0 111.931 171.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.0 m -124.73 151.93 44.43 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.377 2.271 . . . . 0.0 107.801 165.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -47.54 -45.5 26.84 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 120.338 1.426 . . . . 0.0 114.658 -172.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.43 72.38 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -65.71 -40.29 92.07 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.192 0.997 . . . . 0.0 111.022 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.45 -41.85 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.79 0.836 . . . . 0.0 110.296 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -59.96 -45.16 93.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.821 1.248 . . . . 0.0 112.499 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.0 -49.03 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.214 1.006 . . . . 0.0 110.698 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -61.88 -39.04 90.53 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.98 -44.51 65.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.015 0.926 . . . . 0.0 112.815 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -65.56 -33.56 76.2 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.959 1.254 . . . . 0.0 112.08 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -68.66 -36.77 78.99 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.289 0.95 . . . . 0.0 113.258 170.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.933 0 CA-C-N 119.621 1.1 . . . . 0.0 112.198 173.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 121.201 0.524 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 m -60.25 -30.08 69.2 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.405 -0.809 . . . . 0.0 112.583 172.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -67.95 -42.34 81.11 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.273 1.397 . . . . 0.0 112.766 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -58.13 -42.95 86.92 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.05 1.295 . . . . 0.0 110.307 173.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.77 -34.85 78.73 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.828 0.851 . . . . 0.0 113.125 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -70.63 -10.1 58.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -93.9 -38.19 11.33 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.847 1.203 . . . . 0.0 111.602 163.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.2 mt -69.49 -51.14 38.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.062 1.345 . . . . 0.0 112.45 -177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.54 -37.62 74.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.53 1.132 . . . . 0.0 111.984 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.04 79.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.345 0.658 . . . . 0.0 111.601 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.7 m -71.47 -47.02 58.27 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.803 -0.561 . . . . 0.0 111.293 170.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -56.47 -36.91 69.62 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.03 0.932 . . . . 0.0 112.903 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.35 -0.85 13.45 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -130.72 -18.6 3.07 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 170.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -149.37 90.15 1.7 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.439 1.896 . . . . 0.0 109.197 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -72.44 -18.2 61.72 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.826 1.251 . . . . 0.0 113.237 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -130.01 66.37 77.56 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 126.15 1.78 . . . . 0.0 111.269 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -71.34 175.39 9.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.59 2.86 . . . . 0.0 113.85 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.87 157.25 17.61 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.106 1.762 . . . . 0.0 113.445 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -54.89 -30.75 58.92 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -79.19 -39.18 34.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.752 0.705 . . . . 0.0 111.258 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.2 m -64.57 -40.15 95.03 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.846 -1.159 . . . . 0.0 111.788 169.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -64.63 -36.35 83.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.339 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.68 -30.23 61.5 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.088 1.313 . . . . 0.0 113.826 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.76 -46.01 76.74 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.844 1.202 . . . . 0.0 110.901 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.99 -31.83 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.606 -0.684 . . . . 0.0 111.166 173.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.93 -32.94 74.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 118.475 -0.774 . . . . 0.0 112.985 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.45 -48.27 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 119.908 1.231 . . . . 0.0 110.295 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -65.87 -26.8 67.8 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.3 p -109.39 -2.48 17.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.862 1.665 . . . . 0.0 114.275 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t30 55.93 41.35 30.02 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.902 1.681 . . . . 0.0 114.336 -172.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.88 -169.3 1.66 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.519 1.927 . . . . 0.0 109.929 171.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.9 p -117.65 162.9 17.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.736 1.214 . . . . 0.0 110.423 158.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -47.64 -46.25 28.64 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.918 0.887 . . . . 0.0 112.7 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.12 80.96 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.467 0.707 . . . . 0.0 111.809 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -66.78 -35.09 79.28 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 120.982 -1.074 . . . . 0.0 112.911 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.8 t -65.86 -42.08 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.754 0.706 . . . . 0.0 110.864 172.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -62.61 -43.39 98.93 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.279 1.032 . . . . 0.0 111.902 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.18 -44.27 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.269 1.428 . . . . 0.0 111.149 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -60.57 -45.3 94.43 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.455 0.57 . . . . 0.0 111.905 174.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.78 -44.89 95.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.786 0.721 . . . . 0.0 112.473 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -67.62 -36.23 80.42 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.127 0.876 . . . . 0.0 112.428 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -68.86 -36.74 78.5 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.593 1.088 . . . . 0.0 113.46 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 . . . . . 0 N--CA 1.477 0.902 0 CA-C-N 120.326 1.421 . . . . 0.0 111.736 175.272 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 120.946 0.403 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -56.14 -38.61 71.08 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.382 -0.824 . . . . 0.0 111.808 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -58.19 -35.69 71.99 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.667 1.187 . . . . 0.0 113.076 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -76.44 -43.5 39.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.62 0.768 . . . . 0.0 111.202 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.19 -32.96 72.71 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.25 -22.74 67.06 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -91.43 -32.91 15.45 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.34 1.427 . . . . 0.0 112.356 170.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.34 -49.65 68.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.309 1.043 . . . . 0.0 111.101 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -70.94 -34.15 71.19 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.467 -0.771 . . . . 0.0 112.936 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.42 75.93 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.561 -0.712 . . . . 0.0 112.274 173.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -71.15 -41.03 70.94 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.158 0.583 . . . . 0.0 110.971 170.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -65.91 -24.46 66.84 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.178 -0.951 . . . . 0.0 113.32 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.19 -0.35 11.78 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 166.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -137.18 -20.41 1.23 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -156.4 126.15 6.34 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.402 1.881 . . . . 0.0 110.261 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -89.94 -15.72 31.43 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.561 1.144 . . . . 0.0 113.862 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -133.07 61.61 56.79 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.751 1.221 . . . . 0.0 113.101 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -61.22 141.16 92.38 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.085 2.523 . . . . 0.0 112.527 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -92.95 168.65 11.01 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.328 1.451 . . . . 0.0 111.329 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.8 ptm -53.31 -26.88 20.32 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 -174.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 t -85.14 -31.49 23.26 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.43 1.092 . . . . 0.0 112.631 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -47.35 62.51 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.831 -1.168 . . . . 0.0 110.974 172.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -64.94 -32.09 73.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.239 1.415 . . . . 0.0 112.529 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.74 -29.78 61.28 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -71.79 -41.4 68.34 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.702 1.137 . . . . 0.0 110.834 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -55.14 -36.36 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.828 -0.545 . . . . 0.0 110.14 169.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.35 -17.84 61.24 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.06 -53.12 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 120.452 1.478 . . . . 0.0 109.241 163.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -66.5 -38.03 86.34 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 p -89.32 -4.16 58.21 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.041 1.336 . . . . 0.0 114.527 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.2 t30 56.38 54.07 8.02 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.816 1.646 . . . . 0.0 113.464 -172.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mp -114.69 -165.93 1.06 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.778 2.431 . . . . 0.0 111.078 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 p -112.3 161.2 16.89 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.39 -0.819 . . . . 0.0 110.122 152.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -52.31 -43.26 64.42 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.883 0.873 . . . . 0.0 112.416 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.76 79.22 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.747 0.819 . . . . 0.0 112.78 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -69.02 -34.75 75.76 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.734 -1.229 . . . . 0.0 112.553 173.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -64.18 -43.59 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.533 0.606 . . . . 0.0 110.303 171.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -58.11 -46.93 84.73 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.627 1.171 . . . . 0.0 112.188 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.6 -43.31 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.172 1.389 . . . . 0.0 111.738 176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -63.13 -47.47 82.62 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.835 0.743 . . . . 0.0 111.848 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.13 -44.91 94.55 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.104 0.562 . . . . 0.0 112.272 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -68.67 -40.85 79.96 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.24 0.927 . . . . 0.0 112.864 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.0 -24.37 66.02 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.965 1.257 . . . . 0.0 113.37 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 . . . . . 0 N--CA 1.471 0.585 0 C-N-CA 124.91 1.284 . . . . 0.0 112.201 170.262 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -56.92 -32.1 65.6 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 121.028 -1.045 . . . . 0.0 112.599 171.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -66.09 -38.86 89.32 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.827 0.851 . . . . 0.0 111.825 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -75.71 -41.38 53.7 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.459 0.704 . . . . 0.0 111.285 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.71 -35.78 75.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.993 0.917 . . . . 0.0 111.976 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -66.66 -2.44 4.9 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 175.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -111.31 -29.05 7.97 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.014 1.279 . . . . 0.0 112.979 162.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.92 -49.37 65.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.076 0.95 . . . . 0.0 111.468 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.55 -35.37 73.08 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.032 -1.042 . . . . 0.0 112.232 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.77 -18.26 62.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 171.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 m -87.56 -45.76 10.16 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.792 0.837 . . . . 0.0 111.324 166.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -58.23 -25.79 62.1 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -68.39 -21.36 64.7 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 171.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -123.29 -18.55 6.24 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -155.85 132.74 10.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.956 1.302 . . . . 0.0 110.56 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.2 mtp85 -107.61 -10.78 15.59 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.913 1.685 . . . . 0.0 113.016 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -135.01 51.81 6.48 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.8 1.64 . . . . 0.0 112.62 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.58 142.69 72.21 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.651 2.901 . . . . 0.0 113.888 -171.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.53 157.83 36.39 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.712 1.605 . . . . 0.0 113.229 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.7 ptp -44.67 -40.16 5.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.512 1.125 . . . . 0.0 113.98 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 p -66.16 -36.08 82.15 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.579 1.152 . . . . 0.0 113.02 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 m -76.96 -42.64 38.31 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.625 1.57 . . . . 0.0 110.741 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 -65.72 -37.3 86.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.458 -0.782 . . . . 0.0 112.465 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.76 -32.43 70.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.349 0.977 . . . . 0.0 112.953 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -73.71 -41.66 62.29 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.611 1.096 . . . . 0.0 112.222 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.4 mt -57.54 -39.28 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.271 -0.893 . . . . 0.0 110.353 170.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.32 83.54 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 118.241 -0.885 . . . . 0.0 113.044 172.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.12 -49.01 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.276 1.398 . . . . 0.0 110.832 171.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -64.24 -44.92 90.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.72 0.691 . . . . 0.0 111.824 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p -88.53 -6.23 57.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 54.78 33.81 20.47 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.118 1.767 . . . . 0.0 114.175 -169.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -84.96 -173.73 4.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.84 1.656 . . . . 0.0 110.06 163.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.0 p -114.51 164.87 13.39 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.947 1.299 . . . . 0.0 110.284 160.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -53.63 -43.13 68.48 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.957 0.903 . . . . 0.0 111.968 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.97 82.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.821 0.848 . . . . 0.0 112.195 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -62.91 -36.76 84.43 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.177 -0.952 . . . . 0.0 112.341 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -65.85 -45.29 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.158 0.583 . . . . 0.0 110.704 172.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -58.99 -44.83 91.67 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.318 1.047 . . . . 0.0 111.999 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.51 -44.04 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.767 1.227 . . . . 0.0 111.866 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -60.27 -43.17 96.43 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.699 0.681 . . . . 0.0 111.443 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -64.72 -47.53 77.94 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -62.89 -39.52 94.72 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 120.133 1.333 . . . . 0.0 112.297 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -68.05 -35.84 78.89 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.359 0.982 . . . . 0.0 112.744 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.145 0 CA-C-N 119.607 1.094 . . . . 0.0 113.281 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.441 ' N ' HE21 ' A' ' 12' ' ' GLN . 6.9 p . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 121.004 0.43 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -63.25 -31.73 72.96 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.873 -1.142 . . . . 0.0 112.082 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -60.79 -32.23 71.57 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.611 1.165 . . . . 0.0 113.047 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.441 HE21 ' N ' ' A' ' 9' ' ' THR . 48.1 mt-30 -73.7 -48.95 28.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.342 0.974 . . . . 0.0 110.85 172.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.29 -36.89 81.31 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -26.17 67.47 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -175.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -83.34 -28.38 29.06 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.224 1.009 . . . . 0.0 112.636 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.42 -44.41 44.67 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.381 1.072 . . . . 0.0 110.822 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -63.86 -41.66 97.73 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.21 0.459 . . . . 0.0 111.769 171.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.42 -30.15 71.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.491 0.716 . . . . 0.0 112.536 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.0 m -72.68 -53.86 10.58 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.242 0.617 . . . . 0.0 110.578 170.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.49 -38.38 69.07 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.101 0.864 . . . . 0.0 112.348 -176.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.94 -16.98 62.11 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.128 1.371 . . . . 0.0 114.685 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ptm85 -110.98 -23.95 10.65 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.758 1.223 . . . . 0.0 113.756 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -155.46 104.69 2.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.042 1.737 . . . . 0.0 110.193 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -75.24 -8.01 55.45 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.323 1.049 . . . . 0.0 113.756 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -138.02 58.31 15.24 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.671 1.589 . . . . 0.0 112.834 -167.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -66.36 131.47 26.58 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.393 2.062 . . . . 0.0 111.175 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -77.87 167.43 21.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.09 1.356 . . . . 0.0 111.437 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 ptp -51.47 -42.34 61.55 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.9 p -58.62 -39.53 80.74 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.665 1.986 . . . . 0.0 112.931 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m -79.3 -43.6 23.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.507 1.923 . . . . 0.0 111.753 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -64.53 -41.06 96.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.85 0.86 . . . . 0.0 111.688 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -71.47 -31.54 67.27 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.779 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.98 -49.15 75.83 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.578 1.081 . . . . 0.0 112.2 167.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.91 -38.85 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.141 -0.974 . . . . 0.0 110.545 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.12 -31.07 71.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.017 0.927 . . . . 0.0 113.183 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.1 t -67.43 -44.5 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 119.867 1.212 . . . . 0.0 111.332 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -65.25 -42.56 93.17 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.179 0.9 . . . . 0.0 112.635 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.2 p -95.82 -3.56 45.37 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.67 1.588 . . . . 0.0 114.468 -173.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.274 16.5 t-20 54.61 37.34 27.91 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.294 2.238 . . . . 0.0 114.659 -170.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -85.55 -163.88 0.93 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.393 1.877 . . . . 0.0 110.962 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.8 p -120.03 161.75 20.41 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.645 1.178 . . . . 0.0 111.079 160.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.78 -28.44 34.84 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.38 1.872 . . . . 0.0 112.984 171.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.0 -39.4 30.09 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 169.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.45 -34.81 69.36 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.559 1.527 . . . . 0.0 111.838 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.19 -47.61 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.491 0.587 . . . . 0.0 111.14 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -56.59 -49.72 74.05 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.695 0.798 . . . . 0.0 111.67 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.14 -41.84 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.233 1.013 . . . . 0.0 111.323 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -62.88 -36.99 85.15 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.568 -0.707 . . . . 0.0 112.438 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.06 -51.15 49.98 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.561 1.144 . . . . 0.0 112.351 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -35.91 82.56 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.838 1.199 . . . . 0.0 113.12 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -68.4 -14.52 63.06 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 121.223 -0.923 . . . . 0.0 112.916 172.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.271 0 C-N-CA 124.863 1.265 . . . . 0.0 113.474 168.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.4 m -62.07 -37.33 84.62 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.029 -1.044 . . . . 0.0 112.856 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -65.07 -33.03 75.07 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.584 1.154 . . . . 0.0 112.611 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.21 -50.52 60.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.728 0.694 . . . . 0.0 109.942 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.68 -19.77 65.18 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -57.79 -28.52 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.596 1.089 . . . . 0.0 113.387 173.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -82.51 -35.79 27.01 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.893 1.224 . . . . 0.0 112.233 171.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -69.85 -42.26 73.8 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.568 0.747 . . . . 0.0 111.222 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.8 -39.93 79.83 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.521 0.729 . . . . 0.0 112.614 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.37 89.62 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.837 0.455 . . . . 0.0 111.361 172.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 m -66.32 -40.81 90.16 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.63 -0.669 . . . . 0.0 111.418 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.06 -19.54 65.29 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.858 -1.151 . . . . 0.0 113.745 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.7 -10.08 59.13 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 171.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -130.03 -26.85 2.34 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -147.1 101.24 3.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.436 1.495 . . . . 0.0 110.114 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -80.54 -9.24 59.78 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.103 1.761 . . . . 0.0 112.94 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -132.26 62.47 63.5 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.798 1.639 . . . . 0.0 111.482 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -67.77 142.5 58.04 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.028 2.486 . . . . 0.0 113.227 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -88.91 164.55 15.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.297 2.239 . . . . 0.0 111.912 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ptp -53.39 -38.49 63.45 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -67.53 -21.93 65.44 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 127.044 2.137 . . . . 0.0 114.401 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.7 m -98.39 -37.98 9.4 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.509 1.524 . . . . 0.0 111.056 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -63.35 -35.01 78.98 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.267 -0.895 . . . . 0.0 112.041 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.74 -29.87 62.48 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -67.19 -47.13 71.83 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.058 1.299 . . . . 0.0 111.03 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.12 -34.96 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.406 0.682 . . . . 0.0 110.994 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.92 96.18 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 172.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.6 -43.38 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.417 -0.802 . . . . 0.0 111.393 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -63.88 -32.92 74.61 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.308 0.643 . . . . 0.0 112.446 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -97.1 -8.96 28.96 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -173.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t30 64.81 46.04 3.13 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.167 1.387 . . . . 0.0 113.038 -168.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.01 -172.29 2.55 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.808 2.043 . . . . 0.0 111.044 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.94 148.26 47.04 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.316 2.246 . . . . 0.0 110.803 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -56.95 -41.64 78.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.797 1.239 . . . . 0.0 113.799 -167.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.66 -30.19 71.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.934 0.894 . . . . 0.0 112.67 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -71.4 -41.43 69.62 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.215 0.606 . . . . 0.0 111.927 172.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.89 -44.83 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.57 0.748 . . . . 0.0 110.066 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -54.98 -43.92 73.96 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.695 1.198 . . . . 0.0 112.386 174.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.4 t -72.3 -37.52 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 117.949 -1.024 . . . . 0.0 112.653 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -60.9 -42.0 97.17 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.514 1.507 . . . . 0.0 111.602 170.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.8 -42.14 86.46 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -68.59 -36.22 78.41 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.796 1.18 . . . . 0.0 112.172 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -70.52 -32.7 70.26 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.472 1.033 . . . . 0.0 112.285 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 C-N-CA 125.135 1.374 . . . . 0.0 113.069 171.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 120.918 0.39 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.3 p -58.23 -18.24 24.95 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -77.79 -38.51 46.49 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.775 1.171 . . . . 0.0 111.922 169.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -75.87 -44.78 39.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.188 0.595 . . . . 0.0 111.575 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.93 -32.72 73.16 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.037 0.935 . . . . 0.0 113.474 -171.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.48 -23.93 67.61 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -85.67 -31.12 22.69 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.847 1.203 . . . . 0.0 112.509 171.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.16 -44.94 28.41 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.45 -0.781 . . . . 0.0 111.343 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.39 -43.59 85.42 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.708 0.685 . . . . 0.0 111.847 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -34.54 75.65 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.539 -0.726 . . . . 0.0 112.215 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.3 m -67.06 -44.74 79.34 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.52 0.728 . . . . 0.0 110.894 171.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -62.71 -18.27 62.2 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.503 1.047 . . . . 0.0 113.587 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -76.68 -26.29 54.6 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 120.479 -1.388 . . . . 0.0 112.314 170.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -115.11 -20.0 10.62 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -172.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -156.13 118.13 4.0 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.358 1.463 . . . . 0.0 110.434 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -71.56 -21.87 61.82 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.078 0.951 . . . . 0.0 113.279 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -138.12 74.91 41.96 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.375 1.47 . . . . 0.0 111.274 -169.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.52 149.82 87.33 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.542 2.828 . . . . 0.0 113.008 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.14 168.06 20.14 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.586 1.154 . . . . 0.0 112.321 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.3 ptp -62.19 -25.09 67.59 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.464 -1.398 . . . . 0.0 113.135 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.9 p -73.26 -43.4 61.17 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.632 1.573 . . . . 0.0 112.445 170.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -62.88 -45.51 92.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.179 0.992 . . . . 0.0 111.433 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 mtm-85 -72.1 -35.96 69.34 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.43 1.092 . . . . 0.0 112.429 -175.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -70.21 -35.42 73.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.556 1.071 . . . . 0.0 112.371 172.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.62 -42.29 71.12 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.439 1.018 . . . . 0.0 111.873 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.76 -39.32 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 121.333 -0.855 . . . . 0.0 110.741 169.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -15.57 61.5 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.13 -49.84 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 120.339 1.427 . . . . 0.0 109.764 164.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -62.76 -27.58 69.38 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -106.28 -10.95 16.18 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.951 1.7 . . . . 0.0 114.35 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.3 t30 54.7 28.06 9.57 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -165.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.5 mt -75.21 -161.72 0.16 Allowed 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.957 -1.089 . . . . 0.0 110.124 162.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -127.6 153.57 46.25 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.87 -1.144 . . . . 0.0 110.103 165.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -52.42 -43.13 64.65 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.465 1.106 . . . . 0.0 113.184 -174.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.79 83.07 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.833 -0.542 . . . . 0.0 112.14 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -65.94 -22.75 66.51 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.262 -0.899 . . . . 0.0 113.084 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.99 -41.21 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.133 0.878 . . . . 0.0 110.609 172.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -62.46 -43.34 99.06 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.047 0.84 . . . . 0.0 111.976 172.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -57.38 -43.86 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.211 1.004 . . . . 0.0 111.366 173.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -66.03 -47.12 75.44 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.464 -0.773 . . . . 0.0 111.913 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -65.49 -42.82 91.75 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.781 0.719 . . . . 0.0 112.689 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -68.75 -40.01 80.03 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.248 0.931 . . . . 0.0 112.251 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.72 -32.59 73.99 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.489 -0.767 . . . . 0.0 112.092 173.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.116 0 CA-C-N 119.81 1.186 . . . . 0.0 113.344 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 121.263 0.554 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -60.88 -32.93 72.37 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 120.995 -1.066 . . . . 0.0 112.493 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -69.94 -35.77 74.77 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.101 0.96 . . . . 0.0 112.709 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -68.65 -46.27 69.6 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.072 0.851 . . . . 0.0 110.668 172.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.22 -30.12 69.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.814 0.846 . . . . 0.0 112.57 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -60.7 -38.0 83.56 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.32 -37.75 60.61 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 121.142 1.792 . . . . 0.0 111.495 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.57 -43.24 94.49 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.015 0.926 . . . . 0.0 111.312 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.31 -22.14 30.76 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.53 -37.21 74.05 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.408 0.549 . . . . 0.0 111.6 163.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 m -65.46 -51.47 59.93 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.772 -0.58 . . . . 0.0 110.23 171.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.31 -35.57 70.0 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.223 1.009 . . . . 0.0 113.623 -175.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -25.2 67.21 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.209 -0.932 . . . . 0.0 113.216 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -106.37 -33.86 7.62 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.407 1.483 . . . . 0.0 114.514 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -140.14 105.9 5.15 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.076 1.751 . . . . 0.0 110.965 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -73.72 -15.29 61.22 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -135.27 71.0 68.09 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 119.116 0.871 . . . . 0.0 112.476 -165.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.94 155.24 69.14 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.188 2.592 . . . . 0.0 113.069 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -88.95 159.69 17.51 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.689 1.995 . . . . 0.0 112.221 172.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -49.4 -41.6 39.98 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.6 -16.65 62.3 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.472 1.109 . . . . 0.0 112.652 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.8 m -95.56 -36.0 11.44 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.414 1.486 . . . . 0.0 111.688 170.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -64.48 -36.58 84.64 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.875 -1.14 . . . . 0.0 112.271 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -70.76 -27.14 63.71 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.248 0.931 . . . . 0.0 113.477 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -72.36 -47.7 47.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.933 0.893 . . . . 0.0 110.593 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.3 mt -57.89 -35.72 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.865 0.866 . . . . 0.0 110.791 172.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.65 95.19 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.755 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.46 -45.95 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.361 1.437 . . . . 0.0 110.909 171.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -63.27 -28.61 70.14 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.8 p -108.01 -0.26 21.38 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.998 1.319 . . . . 0.0 113.406 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 54.7 t30 58.68 20.82 8.15 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.538 1.935 . . . . 0.0 115.358 -170.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -75.97 -168.03 0.83 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.027 1.731 . . . . 0.0 111.213 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 p -130.79 155.87 45.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.129 2.172 . . . . 0.0 109.019 164.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -53.37 -40.75 65.21 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -166.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.28 93.3 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.991 0.814 . . . . 0.0 112.275 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -63.51 -38.33 90.71 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.163 -0.961 . . . . 0.0 111.287 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.02 -47.33 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.437 0.695 . . . . 0.0 110.534 173.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -57.12 -41.24 78.66 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.071 0.948 . . . . 0.0 112.228 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.89 -36.74 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.493 1.517 . . . . 0.0 112.619 174.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -61.81 -41.49 97.83 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.922 0.783 . . . . 0.0 111.946 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -68.26 -46.18 71.12 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.762 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -11.55 60.46 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 120.296 1.407 . . . . 0.0 114.751 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -87.6 -26.45 23.07 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 167.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.896 0 CA-C-N 119.878 1.217 . . . . 0.0 112.867 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.3 m -62.04 -29.51 70.34 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.142 -0.974 . . . . 0.0 112.764 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -62.2 -23.61 66.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.608 1.163 . . . . 0.0 112.973 172.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -88.15 -44.26 11.04 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.748 0.819 . . . . 0.0 111.32 168.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.02 -33.3 70.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.757 0.823 . . . . 0.0 113.125 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -64.62 -9.52 20.06 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 175.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -110.43 -36.05 5.88 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.523 1.056 . . . . 0.0 113.094 160.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.18 -53.0 42.81 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.722 1.146 . . . . 0.0 112.339 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -71.77 -36.87 70.5 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.16 0.891 . . . . 0.0 111.478 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.74 68.98 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -81.46 -45.81 15.47 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.185 0.994 . . . . 0.0 111.121 168.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -57.82 -32.97 68.11 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.107 0.867 . . . . 0.0 112.696 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.34 -26.14 68.28 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 173.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -108.97 -22.09 12.33 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -155.57 123.79 5.84 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.684 1.194 . . . . 0.0 110.187 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HB2' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -94.29 -7.18 42.67 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.763 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 24' ' ' ARG . 11.2 m-85 -137.78 46.79 1.42 Allowed Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 124.939 1.296 . . . . 0.0 113.679 -171.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -60.32 149.75 84.08 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 124.186 3.258 . . . . 0.0 114.491 -173.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.85 155.99 39.35 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.362 1.065 . . . . 0.0 113.8 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -47.13 -36.06 7.96 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 175.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 p -61.65 -54.83 37.56 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.273 1.029 . . . . 0.0 112.86 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -57.25 -42.02 80.71 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.059 1.344 . . . . 0.0 111.593 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.1 mtm-85 -68.98 -39.86 79.17 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.845 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.08 -28.03 60.14 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.556 1.071 . . . . 0.0 113.233 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -69.13 -44.53 72.15 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.058 0.844 . . . . 0.0 111.295 170.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.03 -34.68 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 120.971 -1.081 . . . . 0.0 111.548 171.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -27.13 68.0 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.2 t -71.51 -45.16 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 120.374 1.443 . . . . 0.0 111.223 169.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -66.66 -17.73 65.0 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.3 p -114.46 -6.48 12.86 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.593 1.557 . . . . 0.0 113.57 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.3 t30 55.23 32.36 18.37 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.372 1.869 . . . . 0.0 114.748 -168.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.78 -179.28 7.25 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.578 1.551 . . . . 0.0 111.191 167.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 p -106.1 154.29 20.86 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.417 1.487 . . . . 0.0 110.507 157.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -51.21 -46.66 62.3 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -172.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.83 66.87 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -71.43 -39.87 70.76 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.863 -1.148 . . . . 0.0 111.177 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.22 -46.07 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.647 0.779 . . . . 0.0 109.896 169.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -60.99 -42.64 98.81 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.935 0.894 . . . . 0.0 112.991 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.49 -50.04 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.973 1.309 . . . . 0.0 110.475 174.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -55.68 -41.51 73.83 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.513 0.597 . . . . 0.0 112.302 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -66.67 -45.78 77.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.192 0.997 . . . . 0.0 113.407 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -70.01 -34.24 73.05 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.716 1.144 . . . . 0.0 112.412 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -65.76 -31.13 71.93 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.27 0.941 . . . . 0.0 111.716 170.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 CA-C-N 119.41 1.005 . . . . 0.0 112.156 169.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.0 p -55.88 -40.89 73.63 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.977 -1.077 . . . . 0.0 112.17 173.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -68.46 -31.37 70.62 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.38 -45.95 68.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.368 0.667 . . . . 0.0 111.019 170.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.02 -37.06 84.94 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -174.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.81 -43.2 85.56 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -171.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -77.54 -22.85 50.46 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.187 -0.946 . . . . 0.0 113.241 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.9 mt -74.48 -53.08 10.21 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.221 1.409 . . . . 0.0 111.39 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.4 -38.16 89.15 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.775 0.716 . . . . 0.0 112.016 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -32.79 72.51 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.1 m -72.79 -46.03 55.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.781 0.432 . . . . 0.0 110.813 171.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -59.65 -26.69 65.73 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.818 0.847 . . . . 0.0 113.281 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.67 -12.41 61.54 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.519 1.528 . . . . 0.0 114.741 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -129.69 -22.11 3.01 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -157.08 108.29 2.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.184 1.794 . . . . 0.0 109.928 -176.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -86.51 2.95 46.12 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -138.94 46.17 1.09 Allowed Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 125.105 1.362 . . . . 0.0 113.451 -171.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -60.24 129.31 29.42 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.783 2.322 . . . . 0.0 112.176 -173.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -64.3 154.61 34.73 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.15 1.78 . . . . 0.0 112.131 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 ptp -43.24 -41.28 3.82 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -78.0 -33.23 51.37 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.339 0.972 . . . . 0.0 113.192 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -70.68 -39.02 73.76 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.12 0.968 . . . . 0.0 111.378 166.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -65.98 -37.87 87.08 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.266 1.827 . . . . 0.0 112.476 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -76.44 -24.52 53.93 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.8 -42.81 81.02 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.943 1.247 . . . . 0.0 111.038 169.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.59 -35.14 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.751 -0.593 . . . . 0.0 110.116 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.0 -30.32 70.39 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 171.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.52 -47.64 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.611 1.55 . . . . 0.0 110.671 169.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -62.67 -34.71 77.67 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.829 0.741 . . . . 0.0 112.592 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.1 p -98.35 -5.23 33.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.486 1.515 . . . . 0.0 114.569 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.06 45.49 20.87 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.277 1.831 . . . . 0.0 113.429 -173.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.9 -162.81 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.927 2.491 . . . . 0.0 110.231 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 p -125.05 158.59 33.38 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.909 2.083 . . . . 0.0 111.069 164.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -49.35 -49.36 44.68 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.753 1.621 . . . . 0.0 113.642 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.18 86.59 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -66.96 -36.69 82.77 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.832 -1.168 . . . . 0.0 112.318 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.12 -40.33 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 122.92 0.488 . . . . 0.0 110.691 168.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -60.29 -43.17 96.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.884 0.873 . . . . 0.0 112.802 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.44 -46.61 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.588 1.155 . . . . 0.0 111.378 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -60.67 -45.23 94.94 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.989 -0.444 . . . . 0.0 111.456 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.1 -44.43 95.71 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -67.29 -41.07 86.05 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.327 0.967 . . . . 0.0 112.047 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.67 -38.4 90.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.027 0.831 . . . . 0.0 112.057 173.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.111 0.481 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -52.76 -37.32 59.33 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.563 1.145 . . . . 0.0 112.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.63 -31.32 71.4 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.34 1.056 . . . . 0.0 113.491 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -79.11 -47.81 15.45 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.865 0.866 . . . . 0.0 110.828 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.2 -36.51 66.02 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.525 1.13 . . . . 0.0 112.408 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.96 -9.66 10.73 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -99.35 -31.9 11.44 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 121.081 1.764 . . . . 0.0 112.631 165.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.4 -46.62 39.09 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.439 -0.788 . . . . 0.0 110.981 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.64 -37.06 73.73 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.39 -0.819 . . . . 0.0 112.548 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.73 -13.82 62.63 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.702 1.201 . . . . 0.0 113.0 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.4 m -89.03 -54.15 4.26 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.409 1.084 . . . . 0.0 110.351 165.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.87 -28.55 66.23 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 114.209 -173.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -9.37 58.79 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 177.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -123.59 -20.59 5.48 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.482 1.513 . . . . 0.0 114.601 174.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -148.94 114.35 5.57 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.128 1.371 . . . . 0.0 111.562 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -70.29 -19.81 63.07 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.475 1.51 . . . . 0.0 113.834 169.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -119.58 54.26 2.75 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.071 1.348 . . . . 0.0 113.034 -167.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -69.35 125.07 11.9 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.613 2.209 . . . . 0.0 110.601 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.93 170.81 11.91 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -175.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.0 ptp -48.97 -32.15 8.64 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 175.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -80.37 -41.7 24.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 118.861 0.755 . . . . 0.0 112.255 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.1 m -59.13 -42.13 89.9 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.99 0.916 . . . . 0.0 110.51 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -68.31 -38.58 81.75 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.415 1.086 . . . . 0.0 112.909 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.6 -28.48 62.81 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.147 1.339 . . . . 0.0 112.962 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.13 -48.22 74.35 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.139 0.881 . . . . 0.0 111.274 168.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.85 -40.89 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.529 -0.732 . . . . 0.0 110.514 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.89 -23.25 67.17 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.8 t -76.19 -51.76 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.724 1.147 . . . . 0.0 110.267 167.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -66.03 -23.0 66.47 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -174.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.8 p -119.75 2.24 11.1 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.8 t30 50.34 44.49 26.6 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.121 1.769 . . . . 0.0 114.999 -170.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.08 -172.84 2.94 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.672 1.189 . . . . 0.0 109.948 168.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 p -112.6 164.85 12.83 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 152.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -52.11 -42.38 63.23 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.323 -0.861 . . . . 0.0 111.403 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.53 81.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.628 0.771 . . . . 0.0 112.767 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -66.17 -41.41 90.36 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.553 1.07 . . . . 0.0 111.628 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.52 -42.89 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 122.945 0.498 . . . . 0.0 110.035 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -59.42 -24.2 63.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.186 1.394 . . . . 0.0 114.027 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.9 t -83.6 -46.04 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.828 1.251 . . . . 0.0 112.316 172.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -61.71 -40.31 94.58 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.79 0.723 . . . . 0.0 112.107 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -65.87 -48.34 71.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.091 0.957 . . . . 0.0 112.785 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -66.98 -25.51 66.35 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.815 1.189 . . . . 0.0 113.299 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -76.02 -26.95 57.15 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 121.052 -1.03 . . . . 0.0 112.89 168.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.121 0 O-C-N 120.344 -1.472 . . . . 0.0 112.821 170.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.3 m -60.6 -36.58 78.92 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.268 -1.52 . . . . 0.0 112.305 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -64.11 -29.1 70.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.858 1.263 . . . . 0.0 113.328 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -80.54 -42.32 22.61 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.086 0.954 . . . . 0.0 111.317 171.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.78 -34.44 77.25 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.089 1.356 . . . . 0.0 112.979 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.05 -22.57 65.86 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 173.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -87.14 -33.54 19.39 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.666 1.575 . . . . 0.0 111.78 171.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.26 -45.12 74.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.321 1.048 . . . . 0.0 111.879 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -72.84 -34.15 66.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.379 -0.826 . . . . 0.0 112.654 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.85 -27.73 66.95 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.685 -0.634 . . . . 0.0 112.502 173.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.1 m -68.89 -53.19 22.54 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.5 0.72 . . . . 0.0 110.54 166.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -54.06 -37.04 63.75 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.921 0.782 . . . . 0.0 112.864 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -63.45 -24.84 68.0 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -106.88 -28.99 9.76 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.925 1.239 . . . . 0.0 113.997 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -151.11 119.27 6.3 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.504 1.522 . . . . 0.0 111.367 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -76.84 -20.25 56.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.59 1.156 . . . . 0.0 113.494 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -141.35 78.91 18.11 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.508 1.523 . . . . 0.0 111.332 -171.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.25 165.29 22.56 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.135 2.557 . . . . 0.0 113.129 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.8 158.49 24.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.733 1.613 . . . . 0.0 112.085 173.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.8 ptm -53.03 -33.44 51.81 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.014 -1.054 . . . . 0.0 113.071 164.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -75.67 -14.43 60.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.69 1.196 . . . . 0.0 113.745 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.2 m -101.01 -40.13 7.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.894 1.678 . . . . 0.0 111.581 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -56.96 -33.03 66.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.442 -0.786 . . . . 0.0 112.511 174.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -70.42 -29.06 65.57 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 173.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -74.95 -45.7 40.54 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.03 1.286 . . . . 0.0 110.643 178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.22 -41.26 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.246 1.018 . . . . 0.0 109.836 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.78 89.91 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.994 0.918 . . . . 0.0 113.31 174.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.35 -38.99 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 119.927 1.24 . . . . 0.0 111.885 173.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -70.67 -29.21 65.48 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.7 p -106.38 -6.86 17.97 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -172.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 t30 69.91 9.65 7.19 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.263 2.225 . . . . 0.0 115.617 -170.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.08 -178.14 1.55 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.949 1.299 . . . . 0.0 111.66 169.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.9 p -119.23 156.55 29.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.57 1.548 . . . . 0.0 110.217 159.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -42.5 -52.0 4.86 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.423 1.889 . . . . 0.0 114.384 -174.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.86 -21.33 66.4 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -83.31 -35.8 24.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.503 1.121 . . . . 0.0 111.54 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.19 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.152 0.581 . . . . 0.0 110.046 166.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -57.51 -43.32 84.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.809 1.244 . . . . 0.0 112.215 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.19 -53.46 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.401 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -59.31 -42.35 91.18 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.751 1.16 . . . . 0.0 111.994 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.31 -54.89 38.09 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.598 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -67.76 -38.24 83.16 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.245 0.93 . . . . 0.0 112.757 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -68.01 -34.85 77.29 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.508 -0.745 . . . . 0.0 112.027 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 117.694 -1.146 . . . . 0.0 113.479 170.979 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 121.184 0.516 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -65.22 -25.56 67.75 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.836 -1.165 . . . . 0.0 111.055 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -62.75 -38.08 89.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.571 1.148 . . . . 0.0 112.813 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -68.78 -44.94 72.59 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.179 0.9 . . . . 0.0 111.004 172.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.56 -37.26 85.47 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -63.58 -26.35 68.65 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -83.94 -32.64 24.95 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.793 1.179 . . . . 0.0 112.098 171.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.3 mt -67.86 -50.34 57.06 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.916 0.887 . . . . 0.0 111.568 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.98 -40.03 83.18 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.022 0.828 . . . . 0.0 112.263 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.0 79.76 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.936 -0.477 . . . . 0.0 111.634 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.4 m -70.02 -48.05 59.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 118.875 -0.583 . . . . 0.0 111.096 171.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -56.95 -34.83 68.41 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.144 0.978 . . . . 0.0 112.546 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -71.74 -14.32 61.98 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -116.01 -17.81 10.82 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -156.21 120.2 4.44 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.029 1.331 . . . . 0.0 111.348 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -106.39 6.23 30.22 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.399 1.879 . . . . 0.0 113.93 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -136.63 58.87 21.57 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 126.971 2.108 . . . . 0.0 112.091 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.14 159.55 46.29 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.787 2.325 . . . . 0.0 112.565 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -90.47 159.42 16.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.83 1.652 . . . . 0.0 113.155 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.6 ptp -48.02 -40.55 23.09 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 173.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -90.65 -6.06 55.04 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.6 m -86.32 -35.96 19.56 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.665 1.186 . . . . 0.0 110.832 161.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -64.77 -39.76 94.14 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.566 1.147 . . . . 0.0 112.096 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.71 -26.04 61.44 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 174.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -66.88 -47.77 70.8 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.379 0.991 . . . . 0.0 110.987 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.29 -36.55 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.261 0.624 . . . . 0.0 110.35 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.42 -19.21 63.01 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.47 -52.3 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 120.67 1.577 . . . . 0.0 109.81 164.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -59.19 -40.82 86.92 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.634 0.773 . . . . 0.0 112.254 -174.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 p -94.93 -6.48 42.42 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.007 1.323 . . . . 0.0 113.957 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 57.01 32.94 22.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.798 2.039 . . . . 0.0 115.086 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.21 -171.51 3.47 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.174 2.19 . . . . 0.0 111.175 171.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.4 162.81 12.71 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.308 -0.87 . . . . 0.0 109.411 157.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.74 -46.94 64.21 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.827 0.851 . . . . 0.0 111.88 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.26 90.08 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -61.97 -34.15 75.61 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 120.845 -1.159 . . . . 0.0 112.017 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.6 -45.32 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.083 0.953 . . . . 0.0 110.688 173.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -53.44 -40.35 65.15 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.738 1.215 . . . . 0.0 112.029 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -72.43 -36.0 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 127.12 2.168 . . . . 0.0 112.805 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.3 t90 -65.88 -42.69 90.02 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.552 1.069 . . . . 0.0 111.196 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -62.11 -41.77 98.55 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -73.81 -28.79 61.8 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -76.65 -27.94 55.84 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.515 0.598 . . . . 0.0 112.419 170.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 . . . . . 0 N--CA 1.475 0.809 0 O-C-N 120.904 -1.123 . . . . 0.0 113.331 178.419 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.133 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 92.7 p -123.29 -28.68 3.95 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -175.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -104.58 17.42 24.16 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.029 1.332 . . . . 0.0 112.897 -170.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 50.95 -127.62 2.36 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.18 1.392 . . . . 0.0 110.282 -169.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -133.47 139.02 46.44 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.153 0.981 . . . . 0.0 109.815 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -79.18 -57.75 3.57 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.237 0.615 . . . . 0.0 110.85 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 65.59 138.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.26 2.624 . . . . 0.0 114.429 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.514 ' H ' " H4'" ' B' ' 72' ' ' ' DA' 0.272 5.4 p 52.5 -155.96 0.17 Allowed 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.393 2.277 . . . . 0.0 114.813 165.615 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.439 ' H ' ' HB ' ' A' ' 6' ' ' THR . 59.5 m-70 60.87 33.22 20.02 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.22 1.808 . . . . 0.0 115.184 -165.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -67.3 132.71 48.26 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.912 -1.118 . . . . 0.0 109.663 160.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -81.57 151.63 27.61 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.394 0.616 . . . . 0.0 110.67 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -58.41 -29.34 66.01 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.22 -0.925 . . . . 0.0 113.478 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -61.6 -38.0 85.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.62 -0.705 . . . . 0.0 112.035 172.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -64.41 -46.23 84.15 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.408 1.004 . . . . 0.0 110.049 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.06 -36.87 78.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.932 0.893 . . . . 0.0 111.797 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.66 -19.23 65.17 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -95.81 -36.55 11.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.184 1.356 . . . . 0.0 112.227 167.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.5 mt -66.73 -46.21 76.2 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.761 0.825 . . . . 0.0 111.929 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.02 -39.86 75.57 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.078 0.853 . . . . 0.0 112.276 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.05 66.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.93 0.892 . . . . 0.0 112.289 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -87.48 -41.74 13.3 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.74 0.816 . . . . 0.0 111.498 170.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -62.27 -24.04 67.05 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.766 1.227 . . . . 0.0 113.799 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -9.97 59.65 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt-85 -120.97 -21.94 6.35 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.629 1.572 . . . . 0.0 114.646 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -152.75 105.99 3.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.619 1.567 . . . . 0.0 110.45 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -82.06 -14.6 55.61 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -135.41 61.4 44.04 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.95 1.3 . . . . 0.0 112.857 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -69.7 139.24 39.94 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.521 2.814 . . . . 0.0 114.297 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.43 156.91 35.41 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.026 2.13 . . . . 0.0 112.63 169.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 ptp -54.47 -34.52 61.69 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.967 -1.083 . . . . 0.0 113.76 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.2 p -59.1 -27.75 65.86 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.938 1.295 . . . . 0.0 113.205 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.4 m -94.54 -38.25 10.98 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.799 1.639 . . . . 0.0 111.847 173.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -62.76 -31.82 72.85 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.246 -0.909 . . . . 0.0 112.227 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.83 -28.94 63.9 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 171.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.27 -46.66 69.81 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.889 1.222 . . . . 0.0 110.743 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -54.91 -37.71 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.95 0.9 . . . . 0.0 110.727 174.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.76 78.92 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.059 0.944 . . . . 0.0 113.482 173.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.53 -45.15 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 120.029 1.286 . . . . 0.0 110.909 172.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -68.84 -16.24 63.72 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 p -116.04 -10.65 11.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.69 1.596 . . . . 0.0 113.874 -175.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.308 2.9 t30 60.68 28.77 18.48 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 127.73 2.412 . . . . 0.0 115.101 -166.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.82 -168.23 2.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.771 1.628 . . . . 0.0 110.589 169.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 p -130.46 159.06 38.2 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.237 2.215 . . . . 0.0 109.753 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -54.61 -42.07 70.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.7 1.2 . . . . 0.0 113.78 -167.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.52 74.84 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.712 -0.618 . . . . 0.0 112.572 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -65.84 -40.62 91.91 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.062 0.945 . . . . 0.0 110.938 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.16 -44.89 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.701 0.8 . . . . 0.0 110.469 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -62.43 -45.79 91.48 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.624 0.77 . . . . 0.0 112.961 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 m -67.73 -33.14 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 118.394 -0.812 . . . . 0.0 111.573 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -62.97 -47.18 84.29 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.352 0.978 . . . . 0.0 111.166 170.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.38 -45.3 84.62 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.55 -35.01 76.84 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.905 1.23 . . . . 0.0 112.254 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -65.42 -34.16 77.64 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.618 1.099 . . . . 0.0 112.313 169.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -42.86 97.64 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.374 1.443 . . . . 0.0 112.366 176.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -71.09 -42.23 69.58 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.359 174.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.65 88.08 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -92.74 -12.85 30.29 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.065 1.302 . . . . 0.0 113.833 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -55.68 -58.9 5.9 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.382 0.992 . . . . 0.0 109.285 148.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -62.61 -44.76 95.48 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.371 -0.831 . . . . 0.0 113.237 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -75.88 7.77 3.67 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.436 1.495 . . . . 0.0 114.574 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -125.87 -30.62 2.98 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.422 1.489 . . . . 0.0 113.349 168.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -132.1 -19.7 2.51 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -170.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 55.56 -48.9 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 130.944 3.697 . . . . 0.0 116.745 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -133.72 -22.1 1.91 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.697 1.599 . . . . 0.0 113.454 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.5 mt -75.13 128.32 36.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 122.072 0.939 . . . . 0.0 111.155 -168.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.21 149.73 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 126.668 1.987 . . . . 0.0 108.778 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 p -114.4 -30.79 6.46 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.334 1.054 . . . . 0.0 112.878 169.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.4 t0 . . . . . 0 C--O 1.248 0.986 0 C-N-CA 127.356 2.262 . . . . 0.0 114.533 174.091 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.954 0 O5'-C5'-C4' 114.344 2.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O5'-C5'-C4' 115.248 3.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.478 1 O4'-C4'-C3' 109.678 4.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.164 0 O4'-C1'-N19 110.166 2.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 111.889 5.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . 0.514 " H4'" ' H ' ' A' ' 6' ' ' THR . . . . . . . . 0 C5'--C4' 1.536 3.139 0 O4'-C1'-N19 110.075 2.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.948 1 P-O3'-C3' 124.828 4.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.586 1 O4'-C1'-N19 111.717 4.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.255 0 P-O3'-C3' 123.714 3.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.414 0 O4'-C1'-N19 110.115 2.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.405 1 O4'-C1'-N19 111.409 4.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.817 0 O4'-C1'-N19 110.602 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.409 0 O4'-C1'-N19 110.446 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.684 0 O4'-C1'-N19 110.432 3.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 1 O4'-C1'-N19 112.399 5.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.557 0 P-O3'-C3' 123.371 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 1 O4'-C1'-N19 111.377 4.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.665 3.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 1 P-O3'-C3' 125.602 4.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.507 1 O4'-C1'-N19 111.506 4.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 C4'-C3'-O3' 119.083 3.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 P-O3'-C3' 126.862 5.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 1 O4'-C1'-N19 111.259 4.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.11 1 O4'-C1'-N19 111.059 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 P-O3'-C3' 124.983 4.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 0 P-O3'-C3' 123.343 3.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.023 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.4 m 50.05 38.33 16.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.162 1.785 . . . . 0.0 114.09 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -144.46 80.81 1.65 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.622 1.169 . . . . 0.0 111.293 -168.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -145.93 165.75 28.04 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.828 1.651 . . . . 0.0 112.312 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.1 mtp-105 70.28 165.72 0.28 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 160.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -145.43 -175.87 4.89 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 130.48 3.512 . . . . 0.0 107.812 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -147.19 149.43 32.93 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.596 -1.315 . . . . 0.0 110.555 152.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.8 t -136.96 149.01 47.29 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.924 0.89 . . . . 0.0 110.325 160.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -106.68 94.11 4.94 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.651 1.181 . . . . 0.0 108.593 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -59.81 139.87 56.99 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.541 0.737 . . . . 0.0 112.083 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.4 p -100.66 159.96 14.74 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.35 1.06 . . . . 0.0 112.521 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -56.39 -37.64 70.41 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.66 1.184 . . . . 0.0 113.194 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -68.32 -28.61 67.31 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.481 -0.762 . . . . 0.0 112.834 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -75.07 -44.16 49.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.963 0.905 . . . . 0.0 110.736 171.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.62 -34.34 69.19 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.173 0.989 . . . . 0.0 112.783 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -61.58 -17.08 53.51 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -90.15 -38.3 13.6 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.834 1.652 . . . . 0.0 112.464 165.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.15 -47.03 66.11 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.981 0.913 . . . . 0.0 112.057 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.45 -38.47 77.81 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.642 -0.661 . . . . 0.0 112.116 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.78 78.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.891 0.876 . . . . 0.0 112.042 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.9 m -68.26 -49.13 62.67 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.077 0.551 . . . . 0.0 110.698 172.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -56.53 -33.27 65.9 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.31 0.959 . . . . 0.0 113.416 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -72.01 -5.13 32.84 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -136.13 -15.61 1.71 Allowed 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -158.83 119.54 3.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.495 1.918 . . . . 0.0 111.386 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -86.37 -12.45 49.24 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 171.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -131.1 67.47 80.76 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.976 1.31 . . . . 0.0 112.298 -168.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -69.6 132.98 24.73 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.227 2.618 . . . . 0.0 111.566 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -73.81 163.21 28.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.072 1.349 . . . . 0.0 112.734 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -53.13 -33.18 51.23 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 172.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.9 p -75.28 -18.29 60.1 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.777 1.631 . . . . 0.0 113.666 176.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.2 m -102.12 -38.75 7.58 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.657 1.583 . . . . 0.0 111.776 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -61.8 -32.04 72.31 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.218 -0.926 . . . . 0.0 111.945 173.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.85 -31.51 64.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 117.915 -1.04 . . . . 0.0 113.684 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -65.15 -48.7 72.6 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.043 1.292 . . . . 0.0 110.36 170.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.3 mt -55.21 -40.37 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.74 0.816 . . . . 0.0 110.706 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.18 -30.75 70.79 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.86 -54.58 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 120.202 1.365 . . . . 0.0 110.116 170.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -64.35 -23.56 67.34 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -108.41 3.01 22.82 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.927 1.691 . . . . 0.0 114.485 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.1 t30 53.18 40.23 30.92 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.045 1.738 . . . . 0.0 114.36 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.1 -178.01 3.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.466 1.906 . . . . 0.0 111.331 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.2 p -114.67 158.45 21.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.813 1.245 . . . . 0.0 109.496 153.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -62.67 -30.3 71.29 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.558 -1.339 . . . . 0.0 113.289 -169.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.35 -41.03 68.65 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.947 0.899 . . . . 0.0 112.326 173.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 mmm-85 -71.17 -32.28 68.72 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.654 -0.654 . . . . 0.0 111.904 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.09 -42.68 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.353 0.661 . . . . 0.0 110.678 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -63.56 -43.84 95.86 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.864 1.265 . . . . 0.0 111.722 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 t -56.49 -47.18 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.9 1.68 . . . . 0.0 111.34 170.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -62.45 -46.23 89.49 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.783 0.72 . . . . 0.0 111.581 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -63.58 -49.21 74.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.706 0.684 . . . . 0.0 112.682 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -34.03 74.78 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.807 1.185 . . . . 0.0 112.903 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -73.51 -22.85 60.01 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 120.773 -1.204 . . . . 0.0 112.856 170.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -71.08 -20.43 62.35 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.278 -1.514 . . . . 0.0 111.924 166.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -80.22 -40.21 27.57 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.813 1.188 . . . . 0.0 111.521 165.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.48 -45.59 80.85 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.565 0.621 . . . . 0.0 112.236 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -50.76 -47.38 59.55 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.943 1.297 . . . . 0.0 111.944 175.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -62.11 -48.63 79.28 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.185 0.994 . . . . 0.0 112.187 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -67.36 -38.99 85.68 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.449 -0.782 . . . . 0.0 112.488 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -73.4 -36.44 66.03 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.625 1.57 . . . . 0.0 113.815 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -93.14 -41.05 10.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.899 1.28 . . . . 0.0 113.831 -173.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -122.4 -13.36 8.06 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 61.16 -39.45 0.11 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 128.444 2.698 . . . . 0.0 116.001 -172.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -148.95 -19.97 0.3 Allowed 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.234 1.379 . . . . 0.0 114.34 171.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.5 mt -77.57 138.7 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 119.241 0.928 . . . . 0.0 111.368 -172.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 p -149.4 136.22 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.256 1.022 . . . . 0.0 111.572 170.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.9 p -128.85 107.81 9.94 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.709 1.203 . . . . 0.0 109.412 165.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 0.992 0 C-N-CA 125.179 1.391 . . . . 0.0 113.781 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.009 0 O5'-C5'-C4' 114.826 3.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.788 0 O4'-C4'-C3' 108.659 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 113.469 7.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 0 O4'-C1'-N19 109.531 2.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.425 1 O4'-C1'-N19 111.69 4.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.428 0 O5'-C5'-C4' 115.541 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.465 0 P-O3'-C3' 123.543 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 0 O5'-C5'-C4' 115.307 3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.455 0 P-O3'-C3' 124.153 3.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 0 O4'-C1'-N19 110.178 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 P-O3'-C3' 123.907 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.367 0 C3'-C2'-C1' 105.903 2.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.36 1 O4'-C1'-N19 111.592 4.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.324 0 O4'-C4'-C3' 108.672 3.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 112.725 6.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.239 0 O5'-C5'-C4' 114.345 2.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.883 0 O5'-C5'-C4' 114.598 3.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 0 O4'-C4'-C3' 108.61 3.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 1 P-O3'-C3' 125.439 4.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.085 1 O4'-C1'-N19 111.171 4.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.999 1 O5'-C5'-C4' 115.906 4.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O5'-C5'-C4' 115.29 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 1 O4'-C1'-N19 112.471 5.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 1 P-O3'-C3' 124.61 4.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.824 0 O4'-C1'-N19 110.354 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 1 P-O3'-C3' 124.997 4.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.999 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.6 t -155.13 168.98 25.21 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.12 1.768 . . . . 0.0 111.38 173.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 48.82 35.43 6.51 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.444 1.898 . . . . 0.0 114.203 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -144.13 159.57 42.4 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.392 1.877 . . . . 0.0 111.218 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -123.85 -171.9 2.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.444 1.898 . . . . 0.0 110.088 169.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -138.73 167.93 20.91 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.079 1.352 . . . . 0.0 110.081 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -129.25 -165.77 1.56 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.009 1.324 . . . . 0.0 111.345 168.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 8' ' ' PHE . 2.6 m -69.56 143.01 53.48 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -144.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -144.46 37.48 1.23 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.273 1.829 . . . . 0.0 112.026 161.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.558 ' H ' HG22 ' A' ' 6' ' ' THR . 21.4 m-85 -85.43 99.49 11.23 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 120.544 -1.348 . . . . 0.0 109.291 173.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.5 p -82.51 163.91 21.24 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.213 1.005 . . . . 0.0 111.404 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 m -66.11 -17.51 64.76 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.918 -1.114 . . . . 0.0 113.286 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -70.07 -35.14 74.01 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.934 -1.104 . . . . 0.0 111.049 168.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -80.56 -48.49 12.64 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.631 0.773 . . . . 0.0 111.6 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.5 -36.72 79.03 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.398 1.079 . . . . 0.0 112.694 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -66.39 -24.46 66.48 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -77.73 -40.43 41.17 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.525 1.057 . . . . 0.0 110.656 170.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 mt -71.48 -48.92 46.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.918 1.687 . . . . 0.0 112.862 -175.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.9 -39.01 83.67 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.109 0.868 . . . . 0.0 112.626 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.13 77.49 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.893 -0.504 . . . . 0.0 111.048 175.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.2 m -66.08 -45.81 79.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.737 0.415 . . . . 0.0 111.126 169.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -58.72 -36.84 74.93 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.203 0.911 . . . . 0.0 112.579 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -70.58 -8.89 54.96 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -115.29 -23.66 8.81 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 172.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -156.64 113.55 3.1 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.008 1.723 . . . . 0.0 110.382 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.5 mtm-85 -78.38 -9.5 59.3 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -134.5 54.05 10.89 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.098 1.359 . . . . 0.0 113.622 -164.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -62.08 134.86 51.61 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.962 2.441 . . . . 0.0 113.091 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.69 165.45 25.04 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.65 1.58 . . . . 0.0 112.872 176.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -51.13 -33.13 25.31 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -77.29 -31.95 55.11 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.58 0.752 . . . . 0.0 112.368 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.4 m -76.56 -40.34 50.07 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.313 -0.867 . . . . 0.0 111.371 171.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -63.46 -32.84 74.4 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.06 -1.025 . . . . 0.0 112.293 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.89 -29.03 50.02 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.89 -44.69 88.79 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.512 1.505 . . . . 0.0 111.515 170.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.8 mt -55.7 -39.4 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.41 0.684 . . . . 0.0 110.25 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.24 -22.25 62.92 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 175.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.3 t -76.87 -38.48 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 120.472 1.487 . . . . 0.0 111.14 169.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -69.3 -43.9 72.88 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.098 0.863 . . . . 0.0 112.108 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -88.2 -6.89 57.58 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 t30 53.74 37.6 26.6 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.803 1.241 . . . . 0.0 113.644 -170.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -102.09 -154.19 0.48 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.214 1.806 . . . . 0.0 110.194 174.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.47 149.37 45.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.622 1.569 . . . . 0.0 110.99 174.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -50.23 -47.36 54.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.605 1.562 . . . . 0.0 114.857 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.66 -27.4 65.96 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.593 1.088 . . . . 0.0 112.386 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -65.24 -38.27 89.84 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.967 -1.083 . . . . 0.0 111.025 171.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.73 -39.24 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.713 0.805 . . . . 0.0 110.794 171.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -58.13 -48.25 80.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.984 1.314 . . . . 0.0 111.83 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 m -74.87 -23.53 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -65.18 -51.16 62.79 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.302 0.956 . . . . 0.0 110.461 167.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.71 -41.08 98.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 118.532 -0.747 . . . . 0.0 112.745 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -61.96 -42.33 99.0 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.556 1.071 . . . . 0.0 112.623 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -75.71 -26.62 57.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.454 0.57 . . . . 0.0 112.395 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -45.41 90.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.643 0.656 . . . . 0.0 112.098 169.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.8 mtm-85 -67.26 -42.47 83.85 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.372 0.669 . . . . 0.0 111.881 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.01 -16.84 63.82 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -56.41 -38.19 71.19 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.243 1.383 . . . . 0.0 112.047 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -51.78 -39.05 57.97 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.731 1.612 . . . . 0.0 112.556 170.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.5 mmm-85 -87.43 -38.28 16.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.933 1.293 . . . . 0.0 112.782 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -89.46 -18.46 26.69 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -116.31 -20.43 9.76 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.447 1.499 . . . . 0.0 113.459 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -133.05 -0.14 3.4 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 -176.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 58.13 -49.86 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 128.772 2.829 . . . . 0.0 116.231 -172.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -160.44 -3.61 0.06 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.316 2.247 . . . . 0.0 113.07 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.8 mt -75.42 129.33 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 121.136 -0.978 . . . . 0.0 110.546 -172.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.8 p -159.6 152.29 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 126.307 1.843 . . . . 0.0 109.526 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.7 p -69.52 135.46 50.13 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.2 0.909 . . . . 0.0 110.974 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.0 p30 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 125.141 1.377 . . . . 0.0 114.67 -178.384 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.292 0 O4'-C4'-C3' 108.273 2.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 P-O3'-C3' 124.222 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C4'-C3' 107.966 2.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.426 0 N19-C1'-C2' 118.61 2.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.304 1 O4'-C1'-N19 111.58 4.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.809 1 O5'-C5'-C4' 115.82 4.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.409 1 O5'-C5'-C4' 117.388 5.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.896 0 P-O3'-C3' 124.496 3.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 1 P-O3'-C3' 124.644 4.12 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.225 1 O4'-C1'-N19 111.135 4.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.166 0 C3'-C2'-C1' 106.133 2.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.621 1 P-O3'-C3' 125.041 4.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.339 1 O4'-C1'-N19 111.106 4.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 0 O4'-C1'-N19 109.547 2.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 112.741 6.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 P-O3'-C3' 123.065 2.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 0 O4'-C1'-N19 110.191 2.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.937 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.333 0 P-O3'-C3' 124.089 3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 0 O5'-C5'-C4' 114.46 3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 P-O3'-C3' 122.961 2.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.364 0 O5'-C5'-C4' 115.336 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O5'-C5'-C4' 114.989 3.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.008 0 O5'-C5'-C4' 114.026 2.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.611 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.155 2.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.379 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.1 m -131.02 -4.6 3.95 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.077 1.751 . . . . 0.0 114.611 -174.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . 0.261 16.8 tp60 52.04 39.84 27.2 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.803 2.441 . . . . 0.0 116.442 173.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -132.11 157.16 44.94 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.505 1.922 . . . . 0.0 111.591 171.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -113.91 144.73 42.57 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.494 1.118 . . . . 0.0 112.236 174.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -52.42 -59.94 3.82 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.371 0.669 . . . . 0.0 111.043 174.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.359 61.7 mtp85 57.24 169.58 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 130.395 3.478 . . . . 0.0 116.969 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -47.25 131.08 13.2 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 127.183 2.193 . . . . 0.0 114.473 -146.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -147.33 58.51 1.15 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.771 0.829 . . . . 0.0 110.425 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -129.34 158.4 39.21 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -162.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.0 p -140.3 160.4 40.06 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.843 1.657 . . . . 0.0 112.075 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -55.33 -35.77 65.52 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.64 -0.662 . . . . 0.0 112.426 174.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -62.21 -30.55 71.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.434 0.694 . . . . 0.0 112.843 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -82.23 -47.38 12.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.827 0.851 . . . . 0.0 111.378 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.54 -28.46 69.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.285 1.034 . . . . 0.0 113.423 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -49.43 -39.48 33.07 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.031 1.732 . . . . 0.0 113.311 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -82.29 -25.95 33.53 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.951 0.796 . . . . 0.0 112.665 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -75.34 -45.94 36.33 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.085 0.954 . . . . 0.0 110.996 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -65.42 -39.46 92.15 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.772 0.714 . . . . 0.0 112.255 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.82 -32.74 74.35 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.1 m -76.58 -44.72 33.42 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.472 0.709 . . . . 0.0 111.129 174.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -56.74 -35.89 69.11 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.251 1.02 . . . . 0.0 112.866 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.93 -16.27 49.58 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -123.82 -30.51 3.54 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -147.22 118.71 7.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.824 1.25 . . . . 0.0 110.279 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -93.95 -6.52 45.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.32 1.048 . . . . 0.0 113.223 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -131.06 63.13 69.25 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.054 1.341 . . . . 0.0 113.49 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -71.68 133.56 22.35 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 123.541 2.827 . . . . 0.0 112.947 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.41 152.49 29.56 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.025 1.33 . . . . 0.0 112.832 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.5 ptp -47.02 -37.65 9.61 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.022 1.329 . . . . 0.0 114.137 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 t -69.74 -35.02 74.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.19 0.596 . . . . 0.0 111.896 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m -74.56 -36.72 63.08 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.057 0.943 . . . . 0.0 111.519 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -61.25 -37.61 83.7 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 118.519 -0.753 . . . . 0.0 112.076 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -73.8 -30.83 62.95 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.54 -45.06 92.29 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.517 1.508 . . . . 0.0 110.946 170.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.8 mt -57.29 -36.56 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.443 -0.786 . . . . 0.0 111.042 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.98 -19.21 61.26 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.73 -42.36 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 120.347 1.43 . . . . 0.0 110.027 166.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -65.14 -45.31 85.57 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.236 0.614 . . . . 0.0 111.652 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 p -98.99 0.71 44.45 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -172.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 58.07 43.85 20.27 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.396 1.479 . . . . 0.0 113.263 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mp -105.63 -158.15 0.65 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.167 2.187 . . . . 0.0 110.367 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.9 p -129.47 168.06 16.9 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.919 1.287 . . . . 0.0 109.414 157.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -49.94 -45.91 51.68 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.615 -0.678 . . . . 0.0 112.268 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.04 99.55 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.487 0.715 . . . . 0.0 112.045 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -62.42 -36.75 83.35 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.248 -0.908 . . . . 0.0 112.737 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.65 -44.45 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.003 0.521 . . . . 0.0 110.382 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -56.07 -47.75 77.39 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.598 1.159 . . . . 0.0 112.237 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.37 -36.68 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 118.892 -0.575 . . . . 0.0 112.105 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -60.67 -38.19 84.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.819 0.736 . . . . 0.0 112.058 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -71.11 -47.27 59.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.284 -0.865 . . . . 0.0 113.216 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -64.74 -35.8 82.22 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 120.68 1.582 . . . . 0.0 112.124 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -65.98 -24.35 66.76 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.543 -0.723 . . . . 0.0 112.804 170.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -32.44 72.43 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.859 1.209 . . . . 0.0 113.658 178.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -83.01 -38.99 21.87 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.29 -31.17 65.36 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.816 -0.553 . . . . 0.0 111.916 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -43.26 -52.74 5.56 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.446 2.298 . . . . 0.0 113.79 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -70.55 -31.26 68.23 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.783 0.719 . . . . 0.0 111.308 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -70.5 -29.45 65.96 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.409 -0.807 . . . . 0.0 112.655 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -68.35 -42.05 79.79 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.663 1.185 . . . . 0.0 112.881 172.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -96.3 -36.67 10.81 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -172.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -131.43 -1.18 3.95 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -165.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 58.6 -45.69 0.06 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 129.897 3.279 . . . . 0.0 117.327 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -139.98 -9.87 1.16 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -176.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.2 mt -86.7 104.25 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 120.857 -1.152 . . . . 0.0 109.79 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.8 -20.48 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 125.263 1.425 . . . . 0.0 114.407 -173.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.8 m 65.42 -34.31 0.18 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 128.78 2.832 . . . . 0.0 117.129 166.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.253 1.263 0 CA-C-N 120.881 1.673 . . . . 0.0 112.533 173.735 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.263 0 O5'-C5'-C4' 114.452 3.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 1 P-O3'-C3' 124.938 4.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C4'-C3' 108.651 3.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.364 0 O4'-C4'-C3' 108.344 2.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.195 4.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.87 0 P-O3'-C3' 123.167 2.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.449 0 P-O3'-C3' 123.995 3.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.088 1 O4'-C1'-N19 112.817 6.271 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.86 0 O5'-C5'-C4' 114.873 3.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 P-O3'-C3' 123.639 3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.467 0 O4'-C1'-N19 110.89 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C4'-C3' 108.997 3.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.18 1 O4'-C1'-N19 112.713 6.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.196 1 O4'-C1'-N19 112.417 5.771 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 1 O4'-C1'-N19 112.444 5.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.058 0 P-O3'-C3' 123.411 3.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.271 1 O4'-C1'-N19 112.278 5.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 O4'-C1'-C2' 103.208 -2.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.788 1 P-O3'-C3' 127.403 6.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.434 0 P-O3'-C3' 123.614 3.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.779 0 P-O3'-C3' 124.048 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.458 0 O4'-C4'-C3' 107.738 2.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.451 0 O4'-C1'-N19 110.369 3.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.263 1 P-O3'-C3' 125.111 4.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 112.885 6.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 68.9 m -133.37 144.44 49.59 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.721 1.208 . . . . 0.0 110.306 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -89.68 112.86 24.24 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.924 0.89 . . . . 0.0 109.358 -174.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -123.24 -44.07 2.17 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.826 2.05 . . . . 0.0 112.739 -171.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -81.51 159.66 24.12 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.8 1.64 . . . . 0.0 112.101 -166.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -146.5 174.35 11.48 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.722 1.609 . . . . 0.0 110.0 -169.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -125.68 -164.82 1.34 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.838 1.255 . . . . 0.0 110.581 163.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 8' ' ' PHE . 6.9 m -35.48 126.71 0.63 Allowed 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 -156.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -130.22 40.47 3.53 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.596 1.558 . . . . 0.0 111.408 167.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.453 ' H ' HG22 ' A' ' 6' ' ' THR . 14.0 m-85 -123.21 134.27 54.15 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.561 1.544 . . . . 0.0 111.887 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 p -97.23 160.15 14.5 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.491 1.117 . . . . 0.0 111.506 173.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 m -61.52 -36.17 79.78 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.511 -1.368 . . . . 0.0 112.566 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.64 -29.03 69.01 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.481 -0.762 . . . . 0.0 112.456 172.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -78.21 -47.82 17.18 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.097 0.862 . . . . 0.0 110.95 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.53 -41.68 86.03 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.132 0.973 . . . . 0.0 112.496 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -61.03 -30.43 70.31 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -86.73 -29.34 22.46 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.556 1.071 . . . . 0.0 112.359 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.84 -45.05 75.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.643 0.777 . . . . 0.0 111.341 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -68.49 -37.83 80.47 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.319 -0.863 . . . . 0.0 112.888 174.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -20.02 66.24 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.874 0.87 . . . . 0.0 112.58 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -84.2 -49.45 8.81 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.572 1.149 . . . . 0.0 111.19 168.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.87 -36.32 74.42 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.286 -0.884 . . . . 0.0 112.823 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -4.84 16.9 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 176.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -118.47 -24.26 6.88 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 167.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -151.9 113.66 4.41 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.295 1.038 . . . . 0.0 112.313 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -80.73 -11.16 59.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.7 1.2 . . . . 0.0 114.082 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -143.34 56.39 4.59 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.384 1.474 . . . . 0.0 114.272 -169.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -61.23 141.98 94.91 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.176 2.584 . . . . 0.0 112.991 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.46 154.7 31.42 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.901 1.28 . . . . 0.0 112.374 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 ptm -49.53 -40.2 37.13 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.141 0.976 . . . . 0.0 113.129 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -74.14 -17.47 60.92 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.5 m -92.9 -39.72 11.0 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.091 1.756 . . . . 0.0 111.545 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -57.74 -35.12 70.28 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.048 0.939 . . . . 0.0 112.136 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.9 -18.03 60.48 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.96 -44.1 27.8 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 120.575 1.534 . . . . 0.0 110.984 169.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.9 mt -56.08 -33.94 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.193 0.997 . . . . 0.0 110.681 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.33 -20.37 66.07 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.68 -53.56 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 120.462 1.483 . . . . 0.0 110.614 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -61.94 -38.55 88.87 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.899 0.879 . . . . 0.0 111.137 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -86.76 -8.47 57.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.971 1.709 . . . . 0.0 114.218 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.4 t30 59.95 24.84 13.97 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 125.219 1.407 . . . . 0.0 114.17 -173.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.74 -173.64 4.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.074 1.75 . . . . 0.0 111.931 171.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.0 m -124.73 151.93 44.43 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.377 2.271 . . . . 0.0 107.801 165.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -47.54 -45.5 26.84 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 120.338 1.426 . . . . 0.0 114.658 -172.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.43 72.38 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -65.71 -40.29 92.07 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.192 0.997 . . . . 0.0 111.022 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.45 -41.85 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.79 0.836 . . . . 0.0 110.296 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -59.96 -45.16 93.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.821 1.248 . . . . 0.0 112.499 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.0 -49.03 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.214 1.006 . . . . 0.0 110.698 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -61.88 -39.04 90.53 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.98 -44.51 65.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.015 0.926 . . . . 0.0 112.815 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -65.56 -33.56 76.2 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.959 1.254 . . . . 0.0 112.08 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -68.66 -36.77 78.99 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.289 0.95 . . . . 0.0 113.258 170.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -36.62 76.95 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.621 1.1 . . . . 0.0 112.198 173.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -74.71 -46.0 40.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.224 1.009 . . . . 0.0 111.717 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.4 -30.11 62.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.641 -1.287 . . . . 0.0 113.712 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -50.03 -43.01 50.65 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.198 1.799 . . . . 0.0 112.924 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -34.18 77.65 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.233 0.924 . . . . 0.0 111.879 -177.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -70.75 -42.07 70.97 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.757 -0.589 . . . . 0.0 111.763 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.96 -24.57 66.82 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.675 1.19 . . . . 0.0 112.592 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -90.18 -46.67 8.29 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.581 1.552 . . . . 0.0 114.117 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -134.78 9.12 3.59 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -165.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 62.55 -55.59 0.15 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.211 2.204 . . . . 0.0 114.837 -165.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -137.32 -21.83 1.17 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -173.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.0 mt -72.03 118.55 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 119.514 1.052 . . . . 0.0 110.772 -168.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 p -156.32 148.53 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.493 1.517 . . . . 0.0 111.283 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.17 149.77 51.72 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.76 1.224 . . . . 0.0 111.319 169.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 127.889 2.476 . . . . 0.0 113.179 -173.806 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 109.81 2.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.981 1 O4'-C4'-C3' 109.636 4.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.846 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.693 0 O5'-C5'-C4' 114.94 3.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.692 0 N19-C1'-C2' 119.351 3.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.016 0 P-O3'-C3' 123.179 2.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.758 0 O5'-C5'-C4' 113.638 2.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.332 1 O4'-C1'-N19 111.15 4.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.898 0 P-O3'-C3' 124.481 3.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 0 O4'-C4'-C3' 108.807 3.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.381 4.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.652 0 O5'-C5'-C4' 114.198 2.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 1 O4'-C1'-N19 113.315 6.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.576 2 O4'-C1'-N19 113.474 7.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.948 1 O4'-C1'-N19 111.995 5.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 P-O3'-C3' 123.462 3.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.957 2 O4'-C1'-N19 112.427 5.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.909 0 O4'-C4'-C3' 109.029 3.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.28 1 P-O3'-C3' 126.401 5.584 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.892 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.315 0 O4'-C1'-N19 110.525 3.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.332 0 O4'-C4'-C3' 109.014 3.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 112.715 6.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.379 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 0 P-O3'-C3' 123.899 3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.412 0 O5'-C5'-C4' 114.892 3.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.012 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.1 t -137.23 144.69 42.91 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.357 1.063 . . . . 0.0 112.594 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -131.39 144.19 51.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.766 1.626 . . . . 0.0 110.697 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 -75.82 127.51 33.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.577 0.751 . . . . 0.0 110.299 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -74.58 164.71 26.27 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.191 0.905 . . . . 0.0 111.734 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -83.1 -25.67 31.77 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -174.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 32.5 96.2 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 129.41 3.084 . . . . 0.0 115.098 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -90.86 -178.83 5.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.687 1.195 . . . . 0.0 113.66 168.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -135.74 148.88 48.99 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.535 2.334 . . . . 0.0 109.431 166.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -114.12 133.69 55.4 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.706 0.802 . . . . 0.0 113.115 -168.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.0 p -76.59 155.55 33.47 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.201 0.524 . . . . 0.0 111.476 173.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 m -60.25 -30.08 69.2 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.405 -0.809 . . . . 0.0 112.583 172.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -67.95 -42.34 81.11 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.273 1.397 . . . . 0.0 112.766 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -58.13 -42.95 86.92 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.05 1.295 . . . . 0.0 110.307 173.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.77 -34.85 78.73 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.828 0.851 . . . . 0.0 113.125 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -70.63 -10.1 58.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -93.9 -38.19 11.33 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.847 1.203 . . . . 0.0 111.602 163.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.2 mt -69.49 -51.14 38.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.062 1.345 . . . . 0.0 112.45 -177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.54 -37.62 74.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.53 1.132 . . . . 0.0 111.984 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.04 79.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.345 0.658 . . . . 0.0 111.601 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.7 m -71.47 -47.02 58.27 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.803 -0.561 . . . . 0.0 111.293 170.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -56.47 -36.91 69.62 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.03 0.932 . . . . 0.0 112.903 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.35 -0.85 13.45 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -130.72 -18.6 3.07 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 170.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -149.37 90.15 1.7 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.439 1.896 . . . . 0.0 109.197 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -72.44 -18.2 61.72 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.826 1.251 . . . . 0.0 113.237 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -130.01 66.37 77.56 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 126.15 1.78 . . . . 0.0 111.269 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -71.34 175.39 9.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.59 2.86 . . . . 0.0 113.85 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.87 157.25 17.61 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.106 1.762 . . . . 0.0 113.445 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -54.89 -30.75 58.92 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -79.19 -39.18 34.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.752 0.705 . . . . 0.0 111.258 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.2 m -64.57 -40.15 95.03 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.846 -1.159 . . . . 0.0 111.788 169.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -64.63 -36.35 83.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.339 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.68 -30.23 61.5 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.088 1.313 . . . . 0.0 113.826 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.76 -46.01 76.74 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.844 1.202 . . . . 0.0 110.901 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.99 -31.83 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.606 -0.684 . . . . 0.0 111.166 173.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.93 -32.94 74.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 118.475 -0.774 . . . . 0.0 112.985 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.45 -48.27 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 119.908 1.231 . . . . 0.0 110.295 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -65.87 -26.8 67.8 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.3 p -109.39 -2.48 17.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.862 1.665 . . . . 0.0 114.275 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t30 55.93 41.35 30.02 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.902 1.681 . . . . 0.0 114.336 -172.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.88 -169.3 1.66 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.519 1.927 . . . . 0.0 109.929 171.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.9 p -117.65 162.9 17.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.736 1.214 . . . . 0.0 110.423 158.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -47.64 -46.25 28.64 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.918 0.887 . . . . 0.0 112.7 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.12 80.96 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.467 0.707 . . . . 0.0 111.809 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -66.78 -35.09 79.28 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 120.982 -1.074 . . . . 0.0 112.911 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.8 t -65.86 -42.08 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.754 0.706 . . . . 0.0 110.864 172.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -62.61 -43.39 98.93 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.279 1.032 . . . . 0.0 111.902 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.18 -44.27 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.269 1.428 . . . . 0.0 111.149 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -60.57 -45.3 94.43 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.455 0.57 . . . . 0.0 111.905 174.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.78 -44.89 95.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.786 0.721 . . . . 0.0 112.473 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -67.62 -36.23 80.42 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.127 0.876 . . . . 0.0 112.428 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -68.86 -36.74 78.5 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.593 1.088 . . . . 0.0 113.46 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -66.42 -37.01 84.24 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.326 1.421 . . . . 0.0 111.736 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 mtm-85 -70.82 -40.95 72.15 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.175 0.898 . . . . 0.0 112.304 170.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.86 -18.0 65.17 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.41 -0.806 . . . . 0.0 113.07 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.82 -41.22 63.98 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.507 1.123 . . . . 0.0 111.43 175.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 -31.28 68.54 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -79.77 -32.93 40.99 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.649 -1.282 . . . . 0.0 111.947 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.83 -43.19 47.14 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.926 1.29 . . . . 0.0 112.456 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.63 -9.02 58.73 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.884 1.673 . . . . 0.0 113.791 166.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 68.72 112.85 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.106 2.962 . . . . 0.0 115.913 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -85.84 -44.9 12.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.837 0.855 . . . . 0.0 111.072 161.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -145.13 -13.5 0.53 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.73 137.16 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 120.296 1.407 . . . . 0.0 108.954 164.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.0 p -149.06 153.84 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.493 -0.754 . . . . 0.0 113.009 -173.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 t -145.76 178.78 7.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.205 2.202 . . . . 0.0 110.966 172.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.027 1.331 . . . . 0.0 113.601 -177.28 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.503 1 O5'-C5'-C4' 116.025 4.161 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.414 1 P-O3'-C3' 124.776 4.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.049 2.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O5'-C5'-C4' 115.384 3.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O5'-C5'-C4' 114.683 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.345 0 O5'-C5'-C4' 115.207 3.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O5'-C5'-C4' 114.805 3.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.385 2 O4'-C1'-N19 111.622 4.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.74 1 O4'-C1'-N19 111.968 5.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.824 1 O4'-C1'-N19 111.321 4.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.059 0 O4'-C1'-N19 110.558 3.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 1 P-O3'-C3' 125.575 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.855 1 O4'-C1'-N19 111.241 4.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 O4'-C1'-N19 109.687 2.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.245 1 O4'-C1'-N19 112.451 5.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.242 0 O5'-C5'-C4' 114.463 3.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C4'-C3' 107.577 1.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.309 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 P-O3'-C3' 124.822 4.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.054 1 O4'-C1'-N19 111.257 4.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.301 0 O4'-C4'-C3' 108.659 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.207 3.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . 0.419 " H1'" ' C8 ' ' C' ' 90' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.386 1 O4'-C1'-N19 112.574 5.968 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . 0.419 ' C8 ' " H1'" ' C' ' 89' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C4'-C3' 108.202 2.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.425 0 O4'-C4'-C3' 108.71 3.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.757 0 P-O3'-C3' 123.117 2.847 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.1 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 94.2 p -161.17 164.9 30.22 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.128 0.964 . . . . 0.0 113.356 -173.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 58.5 50.64 8.98 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.542 1.537 . . . . 0.0 113.286 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -73.73 138.2 44.49 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.293 -0.879 . . . . 0.0 112.097 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -90.97 157.9 17.03 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.83 1.252 . . . . 0.0 112.458 171.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.382 0.2 OUTLIER 54.97 150.85 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 119.405 3.113 . . . . 0.0 119.405 162.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.306 12.4 mtt-85 67.46 174.36 0.26 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.968 2.107 . . . . 0.0 115.507 -178.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -82.61 146.04 29.36 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -118.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.545 ' CG ' HH12 ' A' ' 44' ' ' ARG . 18.1 m-70 -103.61 25.29 9.91 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.975 2.11 . . . . 0.0 112.782 166.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -127.79 149.67 50.15 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -161.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.7 p -114.73 164.31 14.25 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.819 2.047 . . . . 0.0 111.424 166.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -56.14 -38.61 71.08 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.382 -0.824 . . . . 0.0 111.808 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -58.19 -35.69 71.99 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.667 1.187 . . . . 0.0 113.076 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -76.44 -43.5 39.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.62 0.768 . . . . 0.0 111.202 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.19 -32.96 72.71 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.25 -22.74 67.06 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -91.43 -32.91 15.45 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.34 1.427 . . . . 0.0 112.356 170.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.34 -49.65 68.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.309 1.043 . . . . 0.0 111.101 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -70.94 -34.15 71.19 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.467 -0.771 . . . . 0.0 112.936 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.42 75.93 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.561 -0.712 . . . . 0.0 112.274 173.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -71.15 -41.03 70.94 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.158 0.583 . . . . 0.0 110.971 170.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -65.91 -24.46 66.84 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.178 -0.951 . . . . 0.0 113.32 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.19 -0.35 11.78 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 166.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -137.18 -20.41 1.23 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -156.4 126.15 6.34 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.402 1.881 . . . . 0.0 110.261 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -89.94 -15.72 31.43 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.561 1.144 . . . . 0.0 113.862 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -133.07 61.61 56.79 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.751 1.221 . . . . 0.0 113.101 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -61.22 141.16 92.38 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.085 2.523 . . . . 0.0 112.527 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -92.95 168.65 11.01 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.328 1.451 . . . . 0.0 111.329 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.8 ptm -53.31 -26.88 20.32 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 -174.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 t -85.14 -31.49 23.26 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.43 1.092 . . . . 0.0 112.631 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -47.35 62.51 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.831 -1.168 . . . . 0.0 110.974 172.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -64.94 -32.09 73.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.239 1.415 . . . . 0.0 112.529 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.74 -29.78 61.28 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -71.79 -41.4 68.34 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.702 1.137 . . . . 0.0 110.834 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -55.14 -36.36 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.828 -0.545 . . . . 0.0 110.14 169.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.35 -17.84 61.24 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.06 -53.12 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 120.452 1.478 . . . . 0.0 109.241 163.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -66.5 -38.03 86.34 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 p -89.32 -4.16 58.21 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.041 1.336 . . . . 0.0 114.527 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.2 t30 56.38 54.07 8.02 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.816 1.646 . . . . 0.0 113.464 -172.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mp -114.69 -165.93 1.06 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.778 2.431 . . . . 0.0 111.078 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 p -112.3 161.2 16.89 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.39 -0.819 . . . . 0.0 110.122 152.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -52.31 -43.26 64.42 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.883 0.873 . . . . 0.0 112.416 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.76 79.22 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.747 0.819 . . . . 0.0 112.78 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.545 HH12 ' CG ' ' A' ' 7' ' ' HIS . 45.4 mmm-85 -69.02 -34.75 75.76 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.734 -1.229 . . . . 0.0 112.553 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -64.18 -43.59 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.533 0.606 . . . . 0.0 110.303 171.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -58.11 -46.93 84.73 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.627 1.171 . . . . 0.0 112.188 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.6 -43.31 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.172 1.389 . . . . 0.0 111.738 176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -63.13 -47.47 82.62 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.835 0.743 . . . . 0.0 111.848 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.13 -44.91 94.55 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.104 0.562 . . . . 0.0 112.272 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -68.67 -40.85 79.96 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.24 0.927 . . . . 0.0 112.864 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.0 -24.37 66.02 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.965 1.257 . . . . 0.0 113.37 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -79.27 -46.81 17.05 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.91 1.284 . . . . 0.0 112.201 170.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -61.26 -37.3 82.62 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.683 1.129 . . . . 0.0 112.261 174.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.11 -32.08 65.95 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -175.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -50.45 -42.68 54.55 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.156 1.344 . . . . 0.0 112.263 171.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.0 t-105 -63.95 -13.84 49.09 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.965 1.706 . . . . 0.0 113.59 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -113.34 -33.8 5.82 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.911 1.685 . . . . 0.0 112.835 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -66.79 -28.85 68.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.464 1.505 . . . . 0.0 112.465 172.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -91.14 -8.0 49.96 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.091 1.756 . . . . 0.0 113.926 169.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 56.54 112.18 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.363 3.065 . . . . 0.0 116.384 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -107.55 -23.63 12.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.943 1.297 . . . . 0.0 111.525 156.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -66.82 -15.35 63.54 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.3 mm 20.61 107.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 130.987 3.715 . . . . 0.0 115.267 168.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.65 135.03 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.434 0.694 . . . . 0.0 110.235 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 p -122.19 -12.58 8.27 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.281 1.432 . . . . 0.0 113.895 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 126.993 2.117 . . . . 0.0 112.153 167.703 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.508 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.262 0 P-O3'-C3' 124.129 3.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.284 1 O4'-C1'-N19 111.446 4.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.539 0 P-O3'-C3' 122.56 2.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 112.31 5.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.601 3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.675 0 O5'-C5'-C4' 114.963 3.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.152 1 O4'-C1'-N19 113.351 6.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.856 0 O5'-C5'-C4' 115.019 3.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.471 0 O5'-C5'-C4' 114.885 3.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.742 0 P-O3'-C3' 123.873 3.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.772 0 P-O3'-C3' 123.948 3.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 1 O4'-C1'-N19 111.488 4.609 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.243 0 O4'-C4'-C3' 107.648 2.048 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 112.983 6.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.303 0 P-O3'-C3' 122.883 2.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 1 O4'-C1'-N19 112.871 6.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 0 P-O3'-C3' 124.424 3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 109.927 2.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.887 0 O4'-C1'-N19 110.804 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.817 0 O4'-C1'-N19 109.724 2.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.973 1 O4'-C1'-N19 113.32 6.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.499 2 O5'-C5'-C4' 116.249 4.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 P-O3'-C3' 124.743 4.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.31 0 O4'-C4'-C3' 109.111 3.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 O4'-C1'-N19 110.948 3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.09 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.5 m -55.92 142.4 35.71 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.055 0.942 . . . . 0.0 112.591 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -79.91 132.09 35.99 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.855 0.862 . . . . 0.0 111.717 -172.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -80.28 149.97 30.16 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 118.759 -0.639 . . . . 0.0 110.812 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -128.82 152.9 47.97 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.475 0.916 . . . . 0.0 113.475 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -83.38 162.79 20.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.307 1.043 . . . . 0.0 110.294 159.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 mtp-105 -135.93 158.26 44.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.785 1.234 . . . . 0.0 111.078 164.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.5 m 58.41 38.77 25.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.001 1.721 . . . . 0.0 112.513 164.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -84.67 59.08 5.29 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.363 -0.836 . . . . 0.0 112.046 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -132.75 143.17 49.41 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.355 1.862 . . . . 0.0 110.042 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.8 p -103.47 161.88 13.5 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.027 1.331 . . . . 0.0 111.907 173.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -56.92 -32.1 65.6 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 121.028 -1.045 . . . . 0.0 112.599 171.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -66.09 -38.86 89.32 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.827 0.851 . . . . 0.0 111.825 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -75.71 -41.38 53.7 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.459 0.704 . . . . 0.0 111.285 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.71 -35.78 75.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.993 0.917 . . . . 0.0 111.976 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -66.66 -2.44 4.9 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 175.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -111.31 -29.05 7.97 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.014 1.279 . . . . 0.0 112.979 162.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.92 -49.37 65.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.076 0.95 . . . . 0.0 111.468 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.55 -35.37 73.08 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.032 -1.042 . . . . 0.0 112.232 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.77 -18.26 62.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 171.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 m -87.56 -45.76 10.16 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.792 0.837 . . . . 0.0 111.324 166.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -58.23 -25.79 62.1 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -68.39 -21.36 64.7 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 171.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -123.29 -18.55 6.24 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -155.85 132.74 10.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.956 1.302 . . . . 0.0 110.56 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.2 mtp85 -107.61 -10.78 15.59 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.913 1.685 . . . . 0.0 113.016 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -135.01 51.81 6.48 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.8 1.64 . . . . 0.0 112.62 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.58 142.69 72.21 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.651 2.901 . . . . 0.0 113.888 -171.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.53 157.83 36.39 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.712 1.605 . . . . 0.0 113.229 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.7 ptp -44.67 -40.16 5.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.512 1.125 . . . . 0.0 113.98 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 p -66.16 -36.08 82.15 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.579 1.152 . . . . 0.0 113.02 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 m -76.96 -42.64 38.31 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.625 1.57 . . . . 0.0 110.741 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 -65.72 -37.3 86.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.458 -0.782 . . . . 0.0 112.465 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.76 -32.43 70.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.349 0.977 . . . . 0.0 112.953 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -73.71 -41.66 62.29 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.611 1.096 . . . . 0.0 112.222 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.4 mt -57.54 -39.28 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.271 -0.893 . . . . 0.0 110.353 170.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.32 83.54 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 118.241 -0.885 . . . . 0.0 113.044 172.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.12 -49.01 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.276 1.398 . . . . 0.0 110.832 171.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -64.24 -44.92 90.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.72 0.691 . . . . 0.0 111.824 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p -88.53 -6.23 57.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 54.78 33.81 20.47 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.118 1.767 . . . . 0.0 114.175 -169.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -84.96 -173.73 4.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.84 1.656 . . . . 0.0 110.06 163.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.0 p -114.51 164.87 13.39 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.947 1.299 . . . . 0.0 110.284 160.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -53.63 -43.13 68.48 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.957 0.903 . . . . 0.0 111.968 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.97 82.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.821 0.848 . . . . 0.0 112.195 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -62.91 -36.76 84.43 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.177 -0.952 . . . . 0.0 112.341 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -65.85 -45.29 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.158 0.583 . . . . 0.0 110.704 172.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -58.99 -44.83 91.67 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.318 1.047 . . . . 0.0 111.999 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.51 -44.04 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.767 1.227 . . . . 0.0 111.866 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -60.27 -43.17 96.43 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.699 0.681 . . . . 0.0 111.443 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -64.72 -47.53 77.94 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -62.89 -39.52 94.72 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 120.133 1.333 . . . . 0.0 112.297 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -68.05 -35.84 78.89 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.359 0.982 . . . . 0.0 112.744 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -35.42 81.1 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.607 1.094 . . . . 0.0 113.281 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.6 mtm-85 -75.84 -43.51 45.53 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.139 0.976 . . . . 0.0 111.379 171.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.04 -0.18 5.41 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -51.64 -34.5 38.1 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.7 -1.25 . . . . 0.0 112.042 170.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -29.05 67.27 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.125 1.37 . . . . 0.0 113.807 172.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -93.08 -40.02 10.75 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.742 1.217 . . . . 0.0 112.79 173.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -92.35 -12.51 32.17 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -123.93 -31.36 3.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.393 1.477 . . . . 0.0 112.497 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.36 -0.75 18.89 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.476 1.288 . . . . 0.0 114.476 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 58.88 -47.91 0.06 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.999 2.92 . . . . 0.0 115.96 -172.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -146.38 -14.08 0.45 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.9 mt -86.95 142.58 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.792 1.178 . . . . 0.0 111.234 -172.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.9 p -67.8 131.71 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.973 0.909 . . . . 0.0 113.36 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -89.88 145.82 24.86 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.536 1.534 . . . . 0.0 111.522 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--O 1.254 1.293 0 C-N-CA 124.832 1.253 . . . . 0.0 114.039 -175.287 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.71 0 O4'-C1'-N19 110.637 3.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.422 2 O5'-C5'-C4' 118.159 5.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.244 0 P-O3'-C3' 123.249 2.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.924 1 O4'-C1'-N19 111.043 4.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.15 1 O4'-C1'-N19 112.389 5.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 P-O3'-C3' 122.969 2.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 1 O5'-C5'-C4' 116.2 4.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.405 1 O4'-C1'-N19 112.07 5.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.975 0 P-O3'-C3' 124.096 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.274 0 O4'-C1'-N19 110.275 3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.498 2 O4'-C1'-N19 112.189 5.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 P-O3'-C3' 124.103 3.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 1 O4'-C1'-N19 111.726 4.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.326 1 O4'-C1'-N19 111.185 4.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 112.569 5.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.633 0 P-O3'-C3' 123.682 3.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.527 1 O4'-C1'-N19 111.246 4.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 P-O3'-C3' 124.043 3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.591 0 O4'-C1'-N19 110.738 3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.402 0 O4'-C4'-C3' 108.485 2.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 1 O4'-C4'-C3' 109.735 4.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.487 0 O4'-C4'-C3' 108.918 3.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.869 1 O4'-C1'-N19 111.25 4.312 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 0 P-O3'-C3' 124.244 3.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.094 0 O5'-C5'-C4' 115.143 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.041 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.3 m -78.3 140.03 38.83 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.271 1.035 . . . . 0.0 111.698 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -84.7 59.77 5.72 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 112.049 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -41.99 140.32 1.1 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 128.203 2.601 . . . . 0.0 113.076 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 66.0 mtt85 -124.62 148.34 47.96 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.096 1.358 . . . . 0.0 113.115 -173.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -62.27 -58.08 9.04 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 177.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 56.56 110.95 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.464 2.706 . . . . 0.0 114.768 -171.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -85.09 157.17 20.78 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 121.321 -0.862 . . . . 0.0 112.958 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -102.87 149.59 24.36 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 126.483 1.913 . . . . 0.0 111.513 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -125.15 132.04 53.14 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.222 1.009 . . . . 0.0 112.358 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -78.15 157.19 29.51 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.282 0.633 . . . . 0.0 110.442 165.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -63.25 -31.73 72.96 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.873 -1.142 . . . . 0.0 112.082 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -60.79 -32.23 71.57 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.611 1.165 . . . . 0.0 113.047 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -73.7 -48.95 28.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.342 0.974 . . . . 0.0 110.85 172.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.29 -36.89 81.31 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -26.17 67.47 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -175.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -83.34 -28.38 29.06 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.224 1.009 . . . . 0.0 112.636 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.42 -44.41 44.67 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.381 1.072 . . . . 0.0 110.822 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -63.86 -41.66 97.73 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.21 0.459 . . . . 0.0 111.769 171.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.42 -30.15 71.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.491 0.716 . . . . 0.0 112.536 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.0 m -72.68 -53.86 10.58 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.242 0.617 . . . . 0.0 110.578 170.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.49 -38.38 69.07 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.101 0.864 . . . . 0.0 112.348 -176.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.94 -16.98 62.11 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.128 1.371 . . . . 0.0 114.685 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ptm85 -110.98 -23.95 10.65 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.758 1.223 . . . . 0.0 113.756 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -155.46 104.69 2.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.042 1.737 . . . . 0.0 110.193 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -75.24 -8.01 55.45 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.323 1.049 . . . . 0.0 113.756 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -138.02 58.31 15.24 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.671 1.589 . . . . 0.0 112.834 -167.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -66.36 131.47 26.58 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.393 2.062 . . . . 0.0 111.175 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -77.87 167.43 21.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.09 1.356 . . . . 0.0 111.437 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 ptp -51.47 -42.34 61.55 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.9 p -58.62 -39.53 80.74 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.665 1.986 . . . . 0.0 112.931 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m -79.3 -43.6 23.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.507 1.923 . . . . 0.0 111.753 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -64.53 -41.06 96.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.85 0.86 . . . . 0.0 111.688 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -71.47 -31.54 67.27 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.779 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.98 -49.15 75.83 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.578 1.081 . . . . 0.0 112.2 167.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.91 -38.85 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.141 -0.974 . . . . 0.0 110.545 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.12 -31.07 71.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.017 0.927 . . . . 0.0 113.183 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.1 t -67.43 -44.5 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 119.867 1.212 . . . . 0.0 111.332 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -65.25 -42.56 93.17 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.179 0.9 . . . . 0.0 112.635 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.2 p -95.82 -3.56 45.37 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.67 1.588 . . . . 0.0 114.468 -173.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.274 16.5 t-20 54.61 37.34 27.91 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.294 2.238 . . . . 0.0 114.659 -170.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -85.55 -163.88 0.93 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.393 1.877 . . . . 0.0 110.962 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.8 p -120.03 161.75 20.41 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.645 1.178 . . . . 0.0 111.079 160.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.78 -28.44 34.84 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.38 1.872 . . . . 0.0 112.984 171.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.0 -39.4 30.09 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 169.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.45 -34.81 69.36 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.559 1.527 . . . . 0.0 111.838 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.19 -47.61 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.491 0.587 . . . . 0.0 111.14 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -56.59 -49.72 74.05 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.695 0.798 . . . . 0.0 111.67 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.14 -41.84 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.233 1.013 . . . . 0.0 111.323 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -62.88 -36.99 85.15 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.568 -0.707 . . . . 0.0 112.438 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.06 -51.15 49.98 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.561 1.144 . . . . 0.0 112.351 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -35.91 82.56 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.838 1.199 . . . . 0.0 113.12 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -68.4 -14.52 63.06 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 121.223 -0.923 . . . . 0.0 112.916 172.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.37 -34.78 18.68 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.863 1.265 . . . . 0.0 113.474 168.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -56.54 -40.43 75.1 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.181 0.901 . . . . 0.0 111.456 167.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.49 -47.34 79.49 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.702 0.801 . . . . 0.0 112.195 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -62.24 -27.93 69.34 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -67.91 -62.64 1.31 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.42 1.009 . . . . 0.0 110.13 168.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -67.35 -10.47 51.3 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -88.71 -0.34 57.2 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.252 1.421 . . . . 0.0 114.468 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -133.24 -14.1 2.65 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 162.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.49 76.59 1.51 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.186 1.394 . . . . 0.0 113.482 167.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -66.58 2.42 1.32 Allowed 'General case' 0 N--CA 1.486 1.367 0 O-C-N 119.864 -1.772 . . . . 0.0 113.319 160.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -124.9 7.45 8.05 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.775 2.43 . . . . 0.0 114.542 -172.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.7 mt -124.85 139.02 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.211 1.004 . . . . 0.0 109.829 173.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.68 140.2 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 125.72 1.608 . . . . 0.0 112.027 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 t -108.09 152.11 24.96 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.025 0.93 . . . . 0.0 110.265 164.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 C--O 1.254 1.308 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -173.748 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 1 O4'-C1'-N19 111.051 4.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.89 0 O4'-C1'-N19 110.439 3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.844 1 O4'-C1'-N19 111.009 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.152 0 O4'-C4'-C3' 107.993 2.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 1 O4'-C1'-N19 112.436 5.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.44 1 O5'-C5'-C4' 116.013 4.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C4'-C3' 109.312 3.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.534 0 P-O3'-C3' 124.15 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.57 0 O4'-C4'-C3' 108.491 2.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 0 O5'-C5'-C4' 114.458 3.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 1 O4'-C1'-N19 112.6 6.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.164 0 P-O3'-C3' 123.467 3.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-N19 112.197 5.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.675 0 O4'-C1'-N19 110.815 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.273 1 O4'-C1'-N19 113.893 7.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.639 0 P-O3'-C3' 123.118 2.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.937 0 P-O3'-C3' 122.892 2.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.257 0 O4'-C1'-N19 110.949 3.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C4'-C3' 108.411 2.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.993 1 O4'-C1'-N19 113.34 6.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 P-O3'-C3' 123.768 3.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.1 1 O4'-C1'-N19 111.377 4.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C4'-C3' 108.904 3.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.723 2 O4'-C1'-N19 113.104 6.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 0 P-O3'-C3' 124.101 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 0 O4'-C1'-N19 110.574 3.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.081 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 18.7 m -137.03 155.31 49.84 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -142.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -63.1 156.41 25.04 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.015 2.126 . . . . 0.0 111.598 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -63.81 161.76 14.76 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.841 0.856 . . . . 0.0 112.838 174.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -129.8 162.31 28.76 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.902 1.281 . . . . 0.0 113.344 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -126.59 178.92 5.59 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 127.187 2.195 . . . . 0.0 108.358 168.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.0 mtp-105 -130.27 135.56 48.24 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.119 0.485 . . . . 0.0 111.435 146.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m 67.36 49.82 1.01 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.357 2.663 . . . . 0.0 113.901 164.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -73.48 -14.13 61.18 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -90.34 166.27 13.4 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.237 1.015 . . . . 0.0 113.727 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 p -119.38 158.03 26.99 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.371 1.468 . . . . 0.0 112.755 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.4 m -62.07 -37.33 84.62 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.029 -1.044 . . . . 0.0 112.856 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -65.07 -33.03 75.07 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.584 1.154 . . . . 0.0 112.611 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.21 -50.52 60.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.728 0.694 . . . . 0.0 109.942 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.68 -19.77 65.18 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -57.79 -28.52 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.596 1.089 . . . . 0.0 113.387 173.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -82.51 -35.79 27.01 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.893 1.224 . . . . 0.0 112.233 171.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -69.85 -42.26 73.8 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.568 0.747 . . . . 0.0 111.222 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.8 -39.93 79.83 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.521 0.729 . . . . 0.0 112.614 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.37 89.62 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.837 0.455 . . . . 0.0 111.361 172.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 m -66.32 -40.81 90.16 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.63 -0.669 . . . . 0.0 111.418 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.06 -19.54 65.29 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.858 -1.151 . . . . 0.0 113.745 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.7 -10.08 59.13 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 171.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -130.03 -26.85 2.34 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -147.1 101.24 3.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.436 1.495 . . . . 0.0 110.114 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -80.54 -9.24 59.78 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.103 1.761 . . . . 0.0 112.94 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -132.26 62.47 63.5 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.798 1.639 . . . . 0.0 111.482 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -67.77 142.5 58.04 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.028 2.486 . . . . 0.0 113.227 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -88.91 164.55 15.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.297 2.239 . . . . 0.0 111.912 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ptp -53.39 -38.49 63.45 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -67.53 -21.93 65.44 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 127.044 2.137 . . . . 0.0 114.401 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.7 m -98.39 -37.98 9.4 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.509 1.524 . . . . 0.0 111.056 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.414 HH22 ' P ' ' C' ' 81' ' ' ' DG' . 76.9 mtm-85 -63.35 -35.01 78.98 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.267 -0.895 . . . . 0.0 112.041 174.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.74 -29.87 62.48 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -67.19 -47.13 71.83 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.058 1.299 . . . . 0.0 111.03 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.12 -34.96 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.406 0.682 . . . . 0.0 110.994 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.92 96.18 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 172.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.6 -43.38 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.417 -0.802 . . . . 0.0 111.393 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -63.88 -32.92 74.61 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.308 0.643 . . . . 0.0 112.446 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -97.1 -8.96 28.96 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -173.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t30 64.81 46.04 3.13 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.167 1.387 . . . . 0.0 113.038 -168.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.01 -172.29 2.55 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.808 2.043 . . . . 0.0 111.044 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.94 148.26 47.04 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.316 2.246 . . . . 0.0 110.803 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -56.95 -41.64 78.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.797 1.239 . . . . 0.0 113.799 -167.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.66 -30.19 71.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.934 0.894 . . . . 0.0 112.67 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -71.4 -41.43 69.62 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.215 0.606 . . . . 0.0 111.927 172.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.89 -44.83 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.57 0.748 . . . . 0.0 110.066 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -54.98 -43.92 73.96 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.695 1.198 . . . . 0.0 112.386 174.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.4 t -72.3 -37.52 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 117.949 -1.024 . . . . 0.0 112.653 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -60.9 -42.0 97.17 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.514 1.507 . . . . 0.0 111.602 170.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.8 -42.14 86.46 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -68.59 -36.22 78.41 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.796 1.18 . . . . 0.0 112.172 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.42 ' HA ' ' HB3' ' A' ' 54' ' ' ALA . 3.8 t-20 -70.52 -32.7 70.26 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.472 1.033 . . . . 0.0 112.285 175.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -32.94 70.01 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.135 1.374 . . . . 0.0 113.069 171.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.0 mtm-85 -87.69 -30.7 20.18 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.721 1.209 . . . . 0.0 111.778 173.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 51' ' ' ASN . . . -60.96 -25.3 66.72 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -50.77 -58.62 5.47 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.337 0.972 . . . . 0.0 111.865 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -65.56 -36.35 83.53 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.263 0.938 . . . . 0.0 112.399 -171.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 -67.23 -35.6 79.91 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.569 -1.332 . . . . 0.0 113.014 171.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -74.83 3.52 7.97 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 168.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -123.54 -28.34 3.92 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.349 1.459 . . . . 0.0 114.745 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -137.7 7.44 2.76 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.471 1.508 . . . . 0.0 113.896 -169.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 59.86 -41.69 0.09 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.952 2.901 . . . . 0.0 115.528 -162.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -150.97 -16.06 0.22 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.0 mt -71.88 130.71 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 120.069 1.304 . . . . 0.0 111.286 -168.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 p -93.74 152.62 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -166.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.2 p -76.47 -7.7 55.66 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.181 2.192 . . . . 0.0 115.576 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 C--O 1.25 1.129 0 C-N-CA 126.784 2.034 . . . . 0.0 114.084 -173.956 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.786 0 O4'-C1'-N19 110.498 3.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.353 0 O4'-C1'-N19 110.063 2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.499 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.958 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.312 1 O4'-C1'-N19 111.753 4.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.603 0 O5'-C5'-C4' 113.416 2.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 P-O3'-C3' 124.118 3.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.234 3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.384 0 O4'-C4'-C3' 109.515 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.143 0 P-O3'-C3' 123.171 2.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.812 0 P-O3'-C3' 123.614 3.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 O4'-C1'-N19 110.887 3.859 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.736 0 O4'-C1'-N19 110.169 2.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . 0.414 ' P ' HH22 ' A' ' 31' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.864 5.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.76 0 P-O3'-C3' 123.532 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.866 0 O4'-C4'-C3' 108.799 3.199 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.727 0 P-O3'-C3' 123.563 3.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.764 0 O5'-C5'-C4' 115.662 3.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.7 1 P-O3'-C3' 125.214 4.595 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.445 1 O4'-C1'-N19 111.306 4.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C4'-C3' 109.131 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.405 1 O4'-C1'-N19 112.082 5.353 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.452 0 O4'-C4'-C3' 109.085 3.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.443 0 O5'-C5'-C4' 115.786 3.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.555 0 P-O3'-C3' 123.559 3.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.982 0 CA-C-O 121.38 0.433 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 45.4 m -122.48 158.65 29.34 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.752 2.021 . . . . 0.0 113.111 -173.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -90.38 139.08 31.02 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.504 1.522 . . . . 0.0 111.349 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -115.69 162.14 17.68 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.92 1.288 . . . . 0.0 113.459 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -115.79 145.64 42.65 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.098 1.759 . . . . 0.0 111.601 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -77.95 -60.43 2.37 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -168.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' H ' " C5'" ' B' ' 73' ' ' ' DA' 0.338 5.1 mtp85 60.68 174.55 0.1 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.399 2.68 . . . . 0.0 115.06 -171.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 m -41.02 133.04 2.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.993 2.517 . . . . 0.0 116.859 -145.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -140.42 35.88 1.86 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.937 1.295 . . . . 0.0 111.988 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -107.48 93.48 4.57 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.961 1.304 . . . . 0.0 111.169 -170.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -84.38 165.96 17.77 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.249 1.02 . . . . 0.0 111.661 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.3 p -58.23 -18.24 24.95 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -77.79 -38.51 46.49 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.775 1.171 . . . . 0.0 111.922 169.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -75.87 -44.78 39.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.188 0.595 . . . . 0.0 111.575 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.93 -32.72 73.16 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.037 0.935 . . . . 0.0 113.474 -171.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.48 -23.93 67.61 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -85.67 -31.12 22.69 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.847 1.203 . . . . 0.0 112.509 171.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.16 -44.94 28.41 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.45 -0.781 . . . . 0.0 111.343 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.39 -43.59 85.42 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.708 0.685 . . . . 0.0 111.847 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -34.54 75.65 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.539 -0.726 . . . . 0.0 112.215 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.3 m -67.06 -44.74 79.34 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.52 0.728 . . . . 0.0 110.894 171.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -62.71 -18.27 62.2 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.503 1.047 . . . . 0.0 113.587 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -76.68 -26.29 54.6 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 120.479 -1.388 . . . . 0.0 112.314 170.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -115.11 -20.0 10.62 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -172.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -156.13 118.13 4.0 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.358 1.463 . . . . 0.0 110.434 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -71.56 -21.87 61.82 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.078 0.951 . . . . 0.0 113.279 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -138.12 74.91 41.96 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.375 1.47 . . . . 0.0 111.274 -169.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.52 149.82 87.33 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.542 2.828 . . . . 0.0 113.008 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.14 168.06 20.14 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.586 1.154 . . . . 0.0 112.321 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.3 ptp -62.19 -25.09 67.59 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.464 -1.398 . . . . 0.0 113.135 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.9 p -73.26 -43.4 61.17 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.632 1.573 . . . . 0.0 112.445 170.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -62.88 -45.51 92.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.179 0.992 . . . . 0.0 111.433 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 mtm-85 -72.1 -35.96 69.34 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.43 1.092 . . . . 0.0 112.429 -175.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -70.21 -35.42 73.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.556 1.071 . . . . 0.0 112.371 172.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.62 -42.29 71.12 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.439 1.018 . . . . 0.0 111.873 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.76 -39.32 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 121.333 -0.855 . . . . 0.0 110.741 169.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -15.57 61.5 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.13 -49.84 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 120.339 1.427 . . . . 0.0 109.764 164.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -62.76 -27.58 69.38 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -106.28 -10.95 16.18 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.951 1.7 . . . . 0.0 114.35 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.3 t30 54.7 28.06 9.57 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -165.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.5 mt -75.21 -161.72 0.16 Allowed 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.957 -1.089 . . . . 0.0 110.124 162.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -127.6 153.57 46.25 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.87 -1.144 . . . . 0.0 110.103 165.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -52.42 -43.13 64.65 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.465 1.106 . . . . 0.0 113.184 -174.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.79 83.07 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.833 -0.542 . . . . 0.0 112.14 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -65.94 -22.75 66.51 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.262 -0.899 . . . . 0.0 113.084 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.99 -41.21 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.133 0.878 . . . . 0.0 110.609 172.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -62.46 -43.34 99.06 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.047 0.84 . . . . 0.0 111.976 172.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -57.38 -43.86 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.211 1.004 . . . . 0.0 111.366 173.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -66.03 -47.12 75.44 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.464 -0.773 . . . . 0.0 111.913 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -65.49 -42.82 91.75 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.781 0.719 . . . . 0.0 112.689 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -68.75 -40.01 80.03 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.248 0.931 . . . . 0.0 112.251 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.72 -32.59 73.99 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.489 -0.767 . . . . 0.0 112.092 173.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -39.25 80.26 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.81 1.186 . . . . 0.0 113.344 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ptm85 -78.15 -32.72 50.44 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 171.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.43 -27.24 68.97 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -50.19 -37.85 37.07 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.368 0.986 . . . . 0.0 113.33 174.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -59.4 -56.85 16.84 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.217 1.007 . . . . 0.0 111.081 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -69.91 -26.71 64.28 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.323 -0.861 . . . . 0.0 112.474 -177.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -76.67 -12.94 60.08 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 172.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -102.11 -36.32 8.6 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.022 1.329 . . . . 0.0 112.981 173.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -133.09 -6.28 3.05 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -168.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 58.53 -40.67 0.06 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.828 2.851 . . . . 0.0 116.442 -171.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -146.82 -30.78 0.35 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.186 1.394 . . . . 0.0 114.633 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.2 mt -63.99 127.73 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 120.631 1.56 . . . . 0.0 110.616 -172.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.1 p -130.78 137.67 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.894 1.278 . . . . 0.0 112.884 -171.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -144.73 115.05 7.56 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.624 1.57 . . . . 0.0 110.188 165.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.277 35.6 t70 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 128.531 2.732 . . . . 0.0 114.967 -159.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.901 0 O5'-C5'-C4' 114.654 3.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 0 O4'-C1'-N19 110.75 3.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.973 1 O4'-C1'-N19 111.125 4.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.604 0 O5'-C5'-C4' 114.319 2.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.676 1 O4'-C1'-N19 111.575 4.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.631 0 O5'-C5'-C4' 114.888 3.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . 0.45 " C5'" ' H ' ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.413 -2.977 2 O5'-C5'-C4' 118.438 5.884 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.135 2 O4'-C1'-N19 111.481 4.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C4'-C3' 108.52 2.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.814 0 O4'-C1'-N19 109.595 2.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.261 1 O4'-C1'-N19 112.268 5.586 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 0 P-O3'-C3' 123.006 2.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 1 O4'-C1'-N19 111.325 4.406 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.35 0 O5'-C5'-C4' 113.307 2.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.218 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.004 0 O5'-C5'-C4' 113.966 2.69 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 112.101 5.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C4'-C3' 108.423 2.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.191 1 O5'-C5'-C4' 116.508 4.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.734 0 P-O3'-C3' 123.237 2.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 0 P-O3'-C3' 123.224 2.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O5'-C5'-C4' 115.628 3.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 0 O5'-C5'-C4' 114.532 3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 1 P-O3'-C3' 124.707 4.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.201 0 P-O3'-C3' 123.061 2.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 P-O3'-C3' 123.604 3.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.111 0 N-CA-C 111.849 -0.501 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.0 p -120.54 20.72 11.77 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.043 1.737 . . . . 0.0 113.137 173.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -122.59 163.12 20.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.767 2.427 . . . . 0.0 112.082 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -104.61 158.83 16.23 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 174.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -62.78 158.98 17.39 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.467 1.107 . . . . 0.0 112.385 171.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -140.26 -175.95 4.44 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.307 2.243 . . . . 0.0 107.903 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.14 -172.63 3.18 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.79 1.236 . . . . 0.0 111.367 174.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 m -61.1 128.31 35.78 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -161.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -128.2 9.62 6.22 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.531 1.533 . . . . 0.0 112.851 163.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -67.82 150.97 47.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.208 1.003 . . . . 0.0 112.618 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 p -120.23 161.31 21.31 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.489 1.516 . . . . 0.0 112.228 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -60.88 -32.93 72.37 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 120.995 -1.066 . . . . 0.0 112.493 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -69.94 -35.77 74.77 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.101 0.96 . . . . 0.0 112.709 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -68.65 -46.27 69.6 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.072 0.851 . . . . 0.0 110.668 172.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.22 -30.12 69.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.814 0.846 . . . . 0.0 112.57 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -60.7 -38.0 83.56 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.32 -37.75 60.61 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 121.142 1.792 . . . . 0.0 111.495 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.57 -43.24 94.49 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.015 0.926 . . . . 0.0 111.312 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.31 -22.14 30.76 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.53 -37.21 74.05 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.408 0.549 . . . . 0.0 111.6 163.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 m -65.46 -51.47 59.93 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.772 -0.58 . . . . 0.0 110.23 171.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.31 -35.57 70.0 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.223 1.009 . . . . 0.0 113.623 -175.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -25.2 67.21 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.209 -0.932 . . . . 0.0 113.216 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -106.37 -33.86 7.62 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.407 1.483 . . . . 0.0 114.514 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -140.14 105.9 5.15 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.076 1.751 . . . . 0.0 110.965 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -73.72 -15.29 61.22 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CE1' " H3'" ' C' ' 82' ' ' ' DG' . 28.6 m-85 -135.27 71.0 68.09 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 119.116 0.871 . . . . 0.0 112.476 -165.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.94 155.24 69.14 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.188 2.592 . . . . 0.0 113.069 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -88.95 159.69 17.51 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.689 1.995 . . . . 0.0 112.221 172.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -49.4 -41.6 39.98 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.6 -16.65 62.3 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.472 1.109 . . . . 0.0 112.652 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.8 m -95.56 -36.0 11.44 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.414 1.486 . . . . 0.0 111.688 170.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -64.48 -36.58 84.64 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.875 -1.14 . . . . 0.0 112.271 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -70.76 -27.14 63.71 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.248 0.931 . . . . 0.0 113.477 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -72.36 -47.7 47.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.933 0.893 . . . . 0.0 110.593 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.3 mt -57.89 -35.72 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.865 0.866 . . . . 0.0 110.791 172.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.65 95.19 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.755 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.46 -45.95 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.361 1.437 . . . . 0.0 110.909 171.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -63.27 -28.61 70.14 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.8 p -108.01 -0.26 21.38 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.998 1.319 . . . . 0.0 113.406 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 54.7 t30 58.68 20.82 8.15 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.538 1.935 . . . . 0.0 115.358 -170.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -75.97 -168.03 0.83 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.027 1.731 . . . . 0.0 111.213 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 p -130.79 155.87 45.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.129 2.172 . . . . 0.0 109.019 164.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -53.37 -40.75 65.21 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -166.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.28 93.3 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.991 0.814 . . . . 0.0 112.275 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -63.51 -38.33 90.71 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.163 -0.961 . . . . 0.0 111.287 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.02 -47.33 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.437 0.695 . . . . 0.0 110.534 173.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -57.12 -41.24 78.66 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.071 0.948 . . . . 0.0 112.228 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.89 -36.74 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.493 1.517 . . . . 0.0 112.619 174.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -61.81 -41.49 97.83 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.922 0.783 . . . . 0.0 111.946 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -68.26 -46.18 71.12 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.762 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -11.55 60.46 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 120.296 1.407 . . . . 0.0 114.751 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -87.6 -26.45 23.07 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 167.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -37.28 85.08 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.878 1.217 . . . . 0.0 112.867 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 ptm85 -64.22 -39.29 93.66 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 165.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.54 -25.26 67.9 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.39 -34.56 72.59 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 120.033 1.288 . . . . 0.0 113.032 171.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.0 t90 -75.27 -16.8 60.42 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.813 1.245 . . . . 0.0 112.965 174.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -90.34 -59.13 2.27 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.592 -1.318 . . . . 0.0 110.775 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.44 -26.8 68.12 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.583 1.553 . . . . 0.0 113.933 -172.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -98.59 -33.76 10.85 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 175.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -121.77 -13.44 8.29 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -165.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 48.84 44.05 21.74 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 120.743 1.61 . . . . 0.0 112.524 -168.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . 0.411 1.5 p90 60.8 16.63 6.95 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 117.311 2.337 . . . . 0.0 117.311 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.02 148.14 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 O-C-N 119.919 -1.738 . . . . 0.0 110.445 169.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.6 m -106.15 24.42 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 125.358 1.463 . . . . 0.0 114.611 -169.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -22.41 66.32 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -175.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 N--CA 1.485 1.314 0 C-N-CA 125.376 1.47 . . . . 0.0 114.313 175.383 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 0 O4'-C4'-C3' 108.407 2.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.387 0 P-O3'-C3' 123.852 3.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 0 P-O3'-C3' 124.117 3.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 0 O4'-C4'-C3' 108.531 2.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.189 1 O4'-C1'-N19 111.654 4.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.88 0 O5'-C5'-C4' 115.346 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.202 1 O5'-C5'-C4' 116.573 4.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 0 P-O3'-C3' 123.695 3.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 P-O3'-C3' 123.525 3.188 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C1'-N19 109.972 2.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.447 0 O4'-C4'-C3' 108.586 2.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 112.87 6.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.412 1 O4'-C1'-N19 112.996 6.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.405 1 O4'-C1'-N19 114.374 8.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . 0.422 " H3'" ' CE1' ' A' ' 25' ' ' TYR . . . . . . . . 0 C5'--C4' 1.541 3.709 0 P-O3'-C3' 123.245 2.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 P-O3'-C3' 123.5 3.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.172 0 O4'-C1'-N19 110.845 3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.495 2 P-O3'-C3' 125.054 4.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.296 0 O5'-C5'-C4' 114.296 2.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.823 0 P-O3'-C3' 124.013 3.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.627 0 P-O3'-C3' 124.066 3.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 O4'-C1'-N19 110.719 3.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.409 1 O4'-C1'-N19 113.535 7.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 0 P-O3'-C3' 123.969 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.712 1 O4'-C1'-N19 111.129 4.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.933 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 14.8 m 59.05 27.95 17.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.538 1.935 . . . . 0.0 114.852 -173.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -108.23 143.59 36.84 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.414 1.086 . . . . 0.0 108.965 162.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.254 22.7 ptt85 -77.72 161.29 27.84 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.72 -1.238 . . . . 0.0 113.256 -170.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -60.63 159.75 10.24 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.271 1.428 . . . . 0.0 112.743 -174.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -146.96 175.15 10.89 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.153 1.781 . . . . 0.0 109.495 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -148.79 75.26 1.3 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.084 0.856 . . . . 0.0 112.711 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 t -71.69 172.22 10.12 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -126.09 118.93 26.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.498 1.919 . . . . 0.0 108.643 167.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -82.64 140.61 33.07 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -165.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.8 151.59 31.88 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -173.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.3 m -62.04 -29.51 70.34 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.142 -0.974 . . . . 0.0 112.764 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -62.2 -23.61 66.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.608 1.163 . . . . 0.0 112.973 172.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -88.15 -44.26 11.04 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.748 0.819 . . . . 0.0 111.32 168.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.02 -33.3 70.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.757 0.823 . . . . 0.0 113.125 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -64.62 -9.52 20.06 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 175.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -110.43 -36.05 5.88 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.523 1.056 . . . . 0.0 113.094 160.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.18 -53.0 42.81 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.722 1.146 . . . . 0.0 112.339 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -71.77 -36.87 70.5 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.16 0.891 . . . . 0.0 111.478 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.74 68.98 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -81.46 -45.81 15.47 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.185 0.994 . . . . 0.0 111.121 168.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -57.82 -32.97 68.11 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.107 0.867 . . . . 0.0 112.696 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.34 -26.14 68.28 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 173.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -108.97 -22.09 12.33 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -155.57 123.79 5.84 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.684 1.194 . . . . 0.0 110.187 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HB2' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -94.29 -7.18 42.67 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.763 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 24' ' ' ARG . 11.2 m-85 -137.78 46.79 1.42 Allowed Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 124.939 1.296 . . . . 0.0 113.679 -171.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -60.32 149.75 84.08 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 124.186 3.258 . . . . 0.0 114.491 -173.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.85 155.99 39.35 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.362 1.065 . . . . 0.0 113.8 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -47.13 -36.06 7.96 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 175.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 p -61.65 -54.83 37.56 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.273 1.029 . . . . 0.0 112.86 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -57.25 -42.02 80.71 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.059 1.344 . . . . 0.0 111.593 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.1 mtm-85 -68.98 -39.86 79.17 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.845 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.08 -28.03 60.14 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.556 1.071 . . . . 0.0 113.233 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -69.13 -44.53 72.15 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.058 0.844 . . . . 0.0 111.295 170.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.03 -34.68 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 120.971 -1.081 . . . . 0.0 111.548 171.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -27.13 68.0 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.2 t -71.51 -45.16 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 120.374 1.443 . . . . 0.0 111.223 169.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -66.66 -17.73 65.0 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.3 p -114.46 -6.48 12.86 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.593 1.557 . . . . 0.0 113.57 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.3 t30 55.23 32.36 18.37 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.372 1.869 . . . . 0.0 114.748 -168.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.78 -179.28 7.25 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.578 1.551 . . . . 0.0 111.191 167.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 p -106.1 154.29 20.86 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.417 1.487 . . . . 0.0 110.507 157.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -51.21 -46.66 62.3 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -172.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.83 66.87 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -71.43 -39.87 70.76 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.863 -1.148 . . . . 0.0 111.177 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.22 -46.07 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.647 0.779 . . . . 0.0 109.896 169.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -60.99 -42.64 98.81 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.935 0.894 . . . . 0.0 112.991 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.49 -50.04 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.973 1.309 . . . . 0.0 110.475 174.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -55.68 -41.51 73.83 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.513 0.597 . . . . 0.0 112.302 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -66.67 -45.78 77.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.192 0.997 . . . . 0.0 113.407 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -70.01 -34.24 73.05 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.716 1.144 . . . . 0.0 112.412 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -65.76 -31.13 71.93 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.27 0.941 . . . . 0.0 111.716 170.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -45.6 89.38 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.41 1.005 . . . . 0.0 112.156 169.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.8 mtm-85 -63.84 -37.09 86.11 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 118.901 -0.571 . . . . 0.0 111.947 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.09 -46.6 86.61 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.819 0.736 . . . . 0.0 111.935 172.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -59.2 -42.55 91.19 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.469 1.031 . . . . 0.0 112.063 173.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -56.91 -53.2 60.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.771 0.828 . . . . 0.0 111.788 172.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -64.52 -34.26 77.82 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.683 -1.26 . . . . 0.0 113.131 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -89.83 -16.98 28.99 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.897 1.444 . . . . 0.0 114.897 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -106.3 -46.85 3.94 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.8 1.24 . . . . 0.0 113.149 171.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -105.1 -27.67 11.48 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.616 1.166 . . . . 0.0 112.926 -167.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 65.54 -29.79 0.12 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 128.86 2.864 . . . . 0.0 116.082 173.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -148.2 -41.39 0.16 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.424 1.49 . . . . 0.0 114.028 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.8 mm 61.17 145.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 125.806 1.642 . . . . 0.0 112.668 -162.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -53.99 145.38 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.03 1.332 . . . . 0.0 112.752 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 p -74.02 147.46 42.91 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.317 -0.864 . . . . 0.0 112.457 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--O 1.25 1.127 0 C-N-CA 126.267 1.827 . . . . 0.0 112.983 -166.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.542 0 O5'-C5'-C4' 114.846 3.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 1 P-O3'-C3' 124.685 4.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 0 P-O3'-C3' 123.078 2.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.443 0 O4'-C1'-N19 110.013 2.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.396 1 P-O3'-C3' 124.625 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.654 0 O5'-C5'-C4' 115.489 3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 0 O4'-C1'-N19 110.661 3.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.043 0 P-O3'-C3' 124.176 3.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.906 1 P-O3'-C3' 124.735 4.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.206 0 P-O3'-C3' 123.387 3.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.073 1 O4'-C1'-N19 113.905 7.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C4'-C3' 108.736 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 2 O4'-C1'-N19 112.874 6.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.347 0 O4'-C1'-N19 110.73 3.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 1 O4'-C1'-N19 111.39 4.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.745 0 O4'-C1'-N19 109.496 2.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C4'-C3' 108.48 2.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.912 0 C4'-C3'-O3' 118.126 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.666 1 P-O3'-C3' 125.271 4.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 O4'-C1'-N19 110.647 3.558 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.773 0 P-O3'-C3' 123.482 3.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 0 O5'-C5'-C4' 114.904 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 1 O4'-C1'-N19 111.288 4.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.614 1 O4'-C1'-N19 111.117 4.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 C4'-C3'-C2' 100.673 -2.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.013 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.4 p -99.95 97.31 8.2 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.336 1.854 . . . . 0.0 109.932 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -73.3 124.44 25.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.542 0.737 . . . . 0.0 110.538 -172.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -132.09 168.63 17.64 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.319 1.048 . . . . 0.0 112.759 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -135.26 142.29 45.91 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.782 1.233 . . . . 0.0 113.179 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -80.38 -37.8 31.6 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.915 0.886 . . . . 0.0 113.092 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.27 3.3 ttp85 46.13 62.9 2.06 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.486 2.714 . . . . 0.0 114.864 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -68.67 170.31 9.57 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.561 1.944 . . . . 0.0 115.078 -173.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -101.31 136.54 40.99 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.216 1.807 . . . . 0.0 111.48 164.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -91.2 126.54 36.31 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.875 0.761 . . . . 0.0 110.989 171.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.8 p -74.82 160.04 31.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.572 0.749 . . . . 0.0 111.992 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.0 p -55.88 -40.89 73.63 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.977 -1.077 . . . . 0.0 112.17 173.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -68.46 -31.37 70.62 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.38 -45.95 68.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.368 0.667 . . . . 0.0 111.019 170.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.02 -37.06 84.94 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -174.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.81 -43.2 85.56 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -171.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -77.54 -22.85 50.46 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.187 -0.946 . . . . 0.0 113.241 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.9 mt -74.48 -53.08 10.21 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.221 1.409 . . . . 0.0 111.39 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.4 -38.16 89.15 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.775 0.716 . . . . 0.0 112.016 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -32.79 72.51 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.1 m -72.79 -46.03 55.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.781 0.432 . . . . 0.0 110.813 171.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -59.65 -26.69 65.73 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.818 0.847 . . . . 0.0 113.281 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.67 -12.41 61.54 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.519 1.528 . . . . 0.0 114.741 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -129.69 -22.11 3.01 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -157.08 108.29 2.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.184 1.794 . . . . 0.0 109.928 -176.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -86.51 2.95 46.12 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -138.94 46.17 1.09 Allowed Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 125.105 1.362 . . . . 0.0 113.451 -171.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -60.24 129.31 29.42 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.783 2.322 . . . . 0.0 112.176 -173.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -64.3 154.61 34.73 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.15 1.78 . . . . 0.0 112.131 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 ptp -43.24 -41.28 3.82 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -78.0 -33.23 51.37 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.339 0.972 . . . . 0.0 113.192 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -70.68 -39.02 73.76 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.12 0.968 . . . . 0.0 111.378 166.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.432 HH22 ' P ' ' C' ' 81' ' ' ' DG' . 29.4 ttm180 -65.98 -37.87 87.08 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.266 1.827 . . . . 0.0 112.476 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -76.44 -24.52 53.93 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.8 -42.81 81.02 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.943 1.247 . . . . 0.0 111.038 169.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.59 -35.14 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.751 -0.593 . . . . 0.0 110.116 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.0 -30.32 70.39 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 171.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.52 -47.64 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.611 1.55 . . . . 0.0 110.671 169.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -62.67 -34.71 77.67 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.829 0.741 . . . . 0.0 112.592 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.1 p -98.35 -5.23 33.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.486 1.515 . . . . 0.0 114.569 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.06 45.49 20.87 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.277 1.831 . . . . 0.0 113.429 -173.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.9 -162.81 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.927 2.491 . . . . 0.0 110.231 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 p -125.05 158.59 33.38 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.909 2.083 . . . . 0.0 111.069 164.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -49.35 -49.36 44.68 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.753 1.621 . . . . 0.0 113.642 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.18 86.59 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -66.96 -36.69 82.77 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.832 -1.168 . . . . 0.0 112.318 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.12 -40.33 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 122.92 0.488 . . . . 0.0 110.691 168.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -60.29 -43.17 96.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.884 0.873 . . . . 0.0 112.802 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.44 -46.61 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.588 1.155 . . . . 0.0 111.378 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -60.67 -45.23 94.94 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.989 -0.444 . . . . 0.0 111.456 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.1 -44.43 95.71 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -67.29 -41.07 86.05 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.327 0.967 . . . . 0.0 112.047 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.67 -38.4 90.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.027 0.831 . . . . 0.0 112.057 173.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -33.42 73.96 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 177.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -78.25 -41.39 34.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.832 0.853 . . . . 0.0 111.528 171.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.91 -19.94 61.3 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -52.98 -27.3 18.49 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.013 1.279 . . . . 0.0 113.512 172.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -59.23 -51.24 70.84 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.021 0.828 . . . . 0.0 111.398 169.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -59.83 -45.71 91.51 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.377 -0.827 . . . . 0.0 110.964 174.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.44 -13.93 45.25 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -116.05 -29.86 6.19 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.139 1.375 . . . . 0.0 114.35 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -132.67 -26.45 1.8 Allowed 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 -166.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 56.39 -20.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 118.146 2.647 . . . . 0.0 118.146 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -155.34 -38.91 0.09 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.217 1.807 . . . . 0.0 113.54 -174.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mm -68.71 124.18 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.752 0.821 . . . . 0.0 110.153 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 p -121.51 141.41 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.05 0.94 . . . . 0.0 113.058 -162.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.8 p -139.6 5.36 2.21 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.487 1.915 . . . . 0.0 113.689 -171.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.797 1.639 . . . . 0.0 114.049 -171.052 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.507 0 O4'-C1'-N19 110.559 3.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.253 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 P-O3'-C3' 124.292 3.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 0 O4'-C4'-C3' 108.533 2.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.256 1 O4'-C1'-N19 112.788 6.235 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.259 0 O4'-C1'-N19 109.776 2.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C4'-C3' 108.767 3.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 P-O3'-C3' 124.247 3.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.707 0 P-O3'-C3' 122.994 2.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.792 0 O4'-C4'-C3' 108.264 2.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C1'-N19 113.656 7.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.122 0 O5'-C5'-C4' 114.473 3.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.663 1 O4'-C1'-N19 113.202 6.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.364 0 O4'-C4'-C3' 108.363 2.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . 0.432 ' P ' HH22 ' A' ' 31' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.715 1 O4'-C1'-N19 112.773 6.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.085 0 O5'-C5'-C4' 114.672 3.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.676 0 P-O3'-C3' 122.353 2.211 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.013 0 O4'-C4'-C3' 108.927 3.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.467 2 P-O3'-C3' 124.629 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.484 1 O4'-C1'-N19 111.282 4.353 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.652 0 O4'-C1'-N19 110.425 3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 0 O4'-C1'-N19 110.003 2.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.525 0 O4'-C1'-N19 110.372 3.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.348 3.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 P-O3'-C3' 124.111 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.793 0 O4'-C1'-N19 110.159 2.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.123 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.5 m 44.13 62.24 2.05 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 175.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -118.7 120.7 38.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.575 1.55 . . . . 0.0 109.091 174.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -64.13 151.24 43.8 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.644 1.111 . . . . 0.0 112.217 -177.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -105.54 174.02 6.06 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.307 1.443 . . . . 0.0 111.626 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -147.52 175.83 10.53 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.567 1.547 . . . . 0.0 110.373 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' NH1' ' H21' ' C' ' 89' ' ' ' DG' . 35.1 mtp85 -129.03 108.94 10.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.808 0.843 . . . . 0.0 110.176 162.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -83.34 164.2 20.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.72 0.808 . . . . 0.0 112.734 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -101.43 147.3 26.51 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.484 1.514 . . . . 0.0 111.351 165.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -125.12 132.38 53.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.942 1.697 . . . . 0.0 109.111 168.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.8 p -85.55 152.72 22.94 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.581 -0.699 . . . . 0.0 111.977 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -52.76 -37.32 59.33 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.563 1.145 . . . . 0.0 112.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.63 -31.32 71.4 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.34 1.056 . . . . 0.0 113.491 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -79.11 -47.81 15.45 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.865 0.866 . . . . 0.0 110.828 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.2 -36.51 66.02 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.525 1.13 . . . . 0.0 112.408 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.96 -9.66 10.73 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -99.35 -31.9 11.44 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 121.081 1.764 . . . . 0.0 112.631 165.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.4 -46.62 39.09 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.439 -0.788 . . . . 0.0 110.981 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.64 -37.06 73.73 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.39 -0.819 . . . . 0.0 112.548 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.73 -13.82 62.63 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.702 1.201 . . . . 0.0 113.0 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.4 m -89.03 -54.15 4.26 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.409 1.084 . . . . 0.0 110.351 165.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.87 -28.55 66.23 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 114.209 -173.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -9.37 58.79 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 177.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -123.59 -20.59 5.48 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.482 1.513 . . . . 0.0 114.601 174.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -148.94 114.35 5.57 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.128 1.371 . . . . 0.0 111.562 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -70.29 -19.81 63.07 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.475 1.51 . . . . 0.0 113.834 169.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.446 ' CD2' " H4'" ' C' ' 82' ' ' ' DG' . 63.0 m-85 -119.58 54.26 2.75 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.071 1.348 . . . . 0.0 113.034 -167.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -69.35 125.07 11.9 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.613 2.209 . . . . 0.0 110.601 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.93 170.81 11.91 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -175.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.0 ptp -48.97 -32.15 8.64 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 175.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -80.37 -41.7 24.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 118.861 0.755 . . . . 0.0 112.255 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.1 m -59.13 -42.13 89.9 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.99 0.916 . . . . 0.0 110.51 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -68.31 -38.58 81.75 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.415 1.086 . . . . 0.0 112.909 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.6 -28.48 62.81 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.147 1.339 . . . . 0.0 112.962 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.13 -48.22 74.35 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.139 0.881 . . . . 0.0 111.274 168.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.85 -40.89 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.529 -0.732 . . . . 0.0 110.514 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.89 -23.25 67.17 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.8 t -76.19 -51.76 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.724 1.147 . . . . 0.0 110.267 167.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -66.03 -23.0 66.47 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -174.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.8 p -119.75 2.24 11.1 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.8 t30 50.34 44.49 26.6 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.121 1.769 . . . . 0.0 114.999 -170.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.08 -172.84 2.94 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.672 1.189 . . . . 0.0 109.948 168.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 p -112.6 164.85 12.83 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 152.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -52.11 -42.38 63.23 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.323 -0.861 . . . . 0.0 111.403 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.53 81.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.628 0.771 . . . . 0.0 112.767 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -66.17 -41.41 90.36 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.553 1.07 . . . . 0.0 111.628 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.52 -42.89 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 122.945 0.498 . . . . 0.0 110.035 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -59.42 -24.2 63.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.186 1.394 . . . . 0.0 114.027 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.9 t -83.6 -46.04 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.828 1.251 . . . . 0.0 112.316 172.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -61.71 -40.31 94.58 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.79 0.723 . . . . 0.0 112.107 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -65.87 -48.34 71.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.091 0.957 . . . . 0.0 112.785 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -66.98 -25.51 66.35 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.815 1.189 . . . . 0.0 113.299 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -76.02 -26.95 57.15 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 121.052 -1.03 . . . . 0.0 112.89 168.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -34.56 72.57 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.344 -1.472 . . . . 0.0 112.821 170.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -56.94 -50.8 71.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.744 0.818 . . . . 0.0 111.002 162.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.55 74.64 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -57.51 -49.15 77.27 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.369 0.986 . . . . 0.0 112.087 171.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -61.99 -45.25 94.44 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.418 0.687 . . . . 0.0 111.405 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -56.79 -44.26 81.72 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.962 1.305 . . . . 0.0 112.299 175.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -80.43 -31.53 37.54 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -87.93 -34.12 18.23 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -138.45 -3.86 1.68 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -173.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 57.37 -57.55 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 128.566 2.746 . . . . 0.0 114.888 -165.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -142.89 -14.13 0.73 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.952 1.301 . . . . 0.0 114.309 172.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.7 mt -78.67 129.95 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 118.919 0.781 . . . . 0.0 112.512 -158.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.55 126.99 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.681 1.592 . . . . 0.0 110.576 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.5 t -115.36 -34.06 5.08 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.503 1.521 . . . . 0.0 112.347 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.6 t0 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 126.193 1.797 . . . . 0.0 114.033 -165.482 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C4'-C3' 108.968 3.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.392 0 O4'-C4'-C3' 109.228 3.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 1 O4'-C1'-N19 111.705 4.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.59 3.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.326 1 O5'-C5'-C4' 115.863 4.045 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 2 O5'-C5'-C4' 117.047 4.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.7 1 P-O3'-C3' 125.042 4.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.048 0 O4'-C4'-C3' 108.616 3.016 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 112.426 5.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.567 1 P-O3'-C3' 125.071 4.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.985 0 O5'-C5'-C4' 114.231 2.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 1 O4'-C1'-N19 111.228 4.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.175 1 O4'-C1'-N19 111.562 4.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.852 0 O4'-C1'-N19 110.167 2.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . 0.446 " H4'" ' CD2' ' A' ' 25' ' ' TYR . . . . . . . . 0 C5'--C4' 1.532 2.642 1 O4'-C1'-N19 112.802 6.252 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 0 O4'-C1'-N19 110.533 3.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C4'-C3' 108.4 2.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 1 P-O3'-C3' 125.788 5.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 1 O4'-C1'-N19 111.964 5.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 0 O4'-C4'-C3' 109.071 3.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.681 0 P-O3'-C3' 123.787 3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . 0.486 ' H21' ' NH1' ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.413 -3.02 1 O4'-C1'-N19 111.831 5.038 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.606 0 O5'-C5'-C4' 113.273 2.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 0 O5'-C5'-C4' 114.398 2.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.347 2 O4'-C1'-N19 111.508 4.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.094 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 86.7 p -106.58 142.98 35.35 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.352 1.061 . . . . 0.0 113.566 -174.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -76.74 1.92 15.81 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -159.27 173.16 16.75 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.701 2.401 . . . . 0.0 110.348 169.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -77.0 168.67 19.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 122.57 1.176 . . . . 0.0 113.838 169.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.59 173.76 11.18 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.106 1.762 . . . . 0.0 113.097 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -139.8 152.91 46.92 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.074 1.349 . . . . 0.0 110.768 149.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.4 m 44.53 108.41 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.01 1 C-N-CA 131.802 4.041 . . . . 0.0 117.384 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -114.88 28.27 8.84 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.915 1.286 . . . . 0.0 113.35 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -128.27 131.6 48.72 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.45 1.1 . . . . 0.0 112.377 -173.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.3 p -101.09 164.66 11.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.452 1.901 . . . . 0.0 110.165 164.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.3 m -60.6 -36.58 78.92 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.268 -1.52 . . . . 0.0 112.305 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -64.11 -29.1 70.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.858 1.263 . . . . 0.0 113.328 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -80.54 -42.32 22.61 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.086 0.954 . . . . 0.0 111.317 171.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.78 -34.44 77.25 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.089 1.356 . . . . 0.0 112.979 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.05 -22.57 65.86 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 173.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -87.14 -33.54 19.39 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.666 1.575 . . . . 0.0 111.78 171.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.26 -45.12 74.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.321 1.048 . . . . 0.0 111.879 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -72.84 -34.15 66.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.379 -0.826 . . . . 0.0 112.654 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.85 -27.73 66.95 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.685 -0.634 . . . . 0.0 112.502 173.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.1 m -68.89 -53.19 22.54 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.5 0.72 . . . . 0.0 110.54 166.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -54.06 -37.04 63.75 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.921 0.782 . . . . 0.0 112.864 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -63.45 -24.84 68.0 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -106.88 -28.99 9.76 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.925 1.239 . . . . 0.0 113.997 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -151.11 119.27 6.3 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.504 1.522 . . . . 0.0 111.367 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -76.84 -20.25 56.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.59 1.156 . . . . 0.0 113.494 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -141.35 78.91 18.11 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.508 1.523 . . . . 0.0 111.332 -171.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.25 165.29 22.56 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.135 2.557 . . . . 0.0 113.129 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.8 158.49 24.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.733 1.613 . . . . 0.0 112.085 173.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.8 ptm -53.03 -33.44 51.81 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.014 -1.054 . . . . 0.0 113.071 164.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -75.67 -14.43 60.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.69 1.196 . . . . 0.0 113.745 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.2 m -101.01 -40.13 7.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.894 1.678 . . . . 0.0 111.581 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -56.96 -33.03 66.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.442 -0.786 . . . . 0.0 112.511 174.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -70.42 -29.06 65.57 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 173.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -74.95 -45.7 40.54 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.03 1.286 . . . . 0.0 110.643 178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.22 -41.26 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.246 1.018 . . . . 0.0 109.836 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.78 89.91 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.994 0.918 . . . . 0.0 113.31 174.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.35 -38.99 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 119.927 1.24 . . . . 0.0 111.885 173.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -70.67 -29.21 65.48 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.7 p -106.38 -6.86 17.97 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -172.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 t30 69.91 9.65 7.19 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.263 2.225 . . . . 0.0 115.617 -170.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.08 -178.14 1.55 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.949 1.299 . . . . 0.0 111.66 169.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.9 p -119.23 156.55 29.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.57 1.548 . . . . 0.0 110.217 159.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -42.5 -52.0 4.86 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.423 1.889 . . . . 0.0 114.384 -174.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.86 -21.33 66.4 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -83.31 -35.8 24.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.503 1.121 . . . . 0.0 111.54 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.19 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.152 0.581 . . . . 0.0 110.046 166.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -57.51 -43.32 84.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.809 1.244 . . . . 0.0 112.215 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.19 -53.46 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.401 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -59.31 -42.35 91.18 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.751 1.16 . . . . 0.0 111.994 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.31 -54.89 38.09 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.598 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -67.76 -38.24 83.16 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.245 0.93 . . . . 0.0 112.757 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -68.01 -34.85 77.29 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.508 -0.745 . . . . 0.0 112.027 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -73.74 -23.32 59.73 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 117.694 -1.146 . . . . 0.0 113.479 170.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -69.79 -47.99 60.85 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 120.632 1.56 . . . . 0.0 110.035 164.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.83 -30.48 67.69 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.75 1.22 . . . . 0.0 113.153 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -53.07 -36.65 60.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.33 1.052 . . . . 0.0 112.393 173.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -68.89 -46.42 68.43 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.21 0.604 . . . . 0.0 111.632 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -90.84 -13.38 33.86 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -169.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -70.74 -50.1 39.72 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.373 -0.829 . . . . 0.0 109.966 160.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -69.06 -43.63 74.23 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -135.02 43.5 2.69 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.672 1.189 . . . . 0.0 113.694 -165.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.34 -20.99 63.86 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 119.299 -2.126 . . . . 0.0 110.753 149.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -66.94 -19.21 65.68 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.791 1.637 . . . . 0.0 114.494 169.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 mt -129.32 100.23 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.298 1.039 . . . . 0.0 110.263 -176.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.9 t -139.53 124.75 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.544 1.937 . . . . 0.0 108.925 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.5 p 57.69 -9.43 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 128.173 2.589 . . . . 0.0 117.114 -174.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.256 1.415 0 C-N-CA 126.736 2.014 . . . . 0.0 113.931 -178.478 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.4 0 O5'-C5'-C4' 114.882 3.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.333 1 P-O3'-C3' 125.068 4.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 0 P-O3'-C3' 123.623 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.132 0 C1'-O4'-C4' 105.482 -3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . 0.405 " H1'" ' C8 ' ' B' ' 72' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.438 0 N19-C1'-C2' 118.817 2.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . 0.405 ' C8 ' " H1'" ' B' ' 71' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.461 0 P-O3'-C3' 123.113 2.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.425 0 O4'-C4'-C3' 109.559 3.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 1 O4'-C1'-N19 112.273 5.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 0 O4'-C1'-N19 110.468 3.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.203 0 O5'-C5'-C4' 114.371 2.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.126 2 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.208 0 O5'-C5'-C4' 114.961 3.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 1 O4'-C1'-N19 113.006 6.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.054 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.104 1 O4'-C1'-N19 114.193 7.991 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.972 0 P-O3'-C3' 123.534 3.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.47 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.114 0 O4'-C4'-C3' 109.191 3.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 0 O5'-C5'-C4' 115.086 3.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.494 0 O4'-C4'-C3' 108.404 2.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.48 0 P-O3'-C3' 123.56 3.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 0 O4'-C1'-N19 110.627 3.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.513 0 O4'-C1'-N19 110.73 3.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 1 O4'-C1'-N19 112.066 5.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 0 P-O3'-C3' 124.022 3.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.28 0 O4'-C4'-C3' 108.38 2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.103 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 75.2 m -80.01 156.59 27.09 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 117.896 0.848 . . . . 0.0 113.214 176.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -80.15 133.89 36.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.937 1.295 . . . . 0.0 112.625 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.36 140.96 30.76 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.845 1.258 . . . . 0.0 111.494 166.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 54.71 119.48 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 128.529 2.731 . . . . 0.0 115.361 -171.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -71.8 -30.51 65.6 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 21.54 81.93 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 130.013 3.325 . . . . 0.0 113.909 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.4 t -69.91 166.0 20.45 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -122.85 73.99 1.18 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.011 2.124 . . . . 0.0 111.181 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -50.29 148.72 3.38 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.785 1.634 . . . . 0.0 114.178 -175.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.4 p -68.4 155.32 40.08 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.572 -0.705 . . . . 0.0 110.423 163.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -65.22 -25.56 67.75 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.836 -1.165 . . . . 0.0 111.055 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -62.75 -38.08 89.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.571 1.148 . . . . 0.0 112.813 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -68.78 -44.94 72.59 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.179 0.9 . . . . 0.0 111.004 172.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.56 -37.26 85.47 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -63.58 -26.35 68.65 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -83.94 -32.64 24.95 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.793 1.179 . . . . 0.0 112.098 171.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.3 mt -67.86 -50.34 57.06 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.916 0.887 . . . . 0.0 111.568 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.98 -40.03 83.18 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.022 0.828 . . . . 0.0 112.263 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.0 79.76 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.936 -0.477 . . . . 0.0 111.634 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.4 m -70.02 -48.05 59.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 118.875 -0.583 . . . . 0.0 111.096 171.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -56.95 -34.83 68.41 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.144 0.978 . . . . 0.0 112.546 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -71.74 -14.32 61.98 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -116.01 -17.81 10.82 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -156.21 120.2 4.44 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.029 1.331 . . . . 0.0 111.348 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -106.39 6.23 30.22 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.399 1.879 . . . . 0.0 113.93 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -136.63 58.87 21.57 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 126.971 2.108 . . . . 0.0 112.091 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.14 159.55 46.29 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.787 2.325 . . . . 0.0 112.565 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -90.47 159.42 16.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.83 1.652 . . . . 0.0 113.155 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.6 ptp -48.02 -40.55 23.09 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 173.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -90.65 -6.06 55.04 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.6 m -86.32 -35.96 19.56 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.665 1.186 . . . . 0.0 110.832 161.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -64.77 -39.76 94.14 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.566 1.147 . . . . 0.0 112.096 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.71 -26.04 61.44 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 174.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -66.88 -47.77 70.8 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.379 0.991 . . . . 0.0 110.987 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.29 -36.55 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.261 0.624 . . . . 0.0 110.35 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.42 -19.21 63.01 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.47 -52.3 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 120.67 1.577 . . . . 0.0 109.81 164.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -59.19 -40.82 86.92 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.634 0.773 . . . . 0.0 112.254 -174.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 p -94.93 -6.48 42.42 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.007 1.323 . . . . 0.0 113.957 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 57.01 32.94 22.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.798 2.039 . . . . 0.0 115.086 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.21 -171.51 3.47 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.174 2.19 . . . . 0.0 111.175 171.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.4 162.81 12.71 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.308 -0.87 . . . . 0.0 109.411 157.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.74 -46.94 64.21 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.827 0.851 . . . . 0.0 111.88 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.26 90.08 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -61.97 -34.15 75.61 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 120.845 -1.159 . . . . 0.0 112.017 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.6 -45.32 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.083 0.953 . . . . 0.0 110.688 173.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -53.44 -40.35 65.15 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.738 1.215 . . . . 0.0 112.029 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -72.43 -36.0 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 127.12 2.168 . . . . 0.0 112.805 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.3 t90 -65.88 -42.69 90.02 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.552 1.069 . . . . 0.0 111.196 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -62.11 -41.77 98.55 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -73.81 -28.79 61.8 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -76.65 -27.94 55.84 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.515 0.598 . . . . 0.0 112.419 170.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -69.17 -33.42 73.37 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.904 -1.123 . . . . 0.0 113.331 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.9 ptm85 -74.95 -31.99 61.62 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 167.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.81 85.71 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.226 -0.921 . . . . 0.0 112.107 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -61.15 -22.87 65.11 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 170.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -77.97 -52.16 9.25 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.359 0.981 . . . . 0.0 110.943 167.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -55.37 -39.66 70.36 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -85.39 -1.97 57.58 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -115.65 -35.18 4.61 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.638 1.575 . . . . 0.0 112.756 165.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -139.87 -103.61 0.16 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.811 1.644 . . . . 0.0 114.505 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 55.31 -30.74 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.984 2.113 . . . . 0.0 115.392 -152.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -68.62 -13.36 62.3 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.498 -1.377 . . . . 0.0 113.261 166.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mm -105.02 140.73 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.679 1.592 . . . . 0.0 107.708 158.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.2 p -131.61 142.69 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.032 0.933 . . . . 0.0 111.487 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -70.06 139.53 52.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.932 0.893 . . . . 0.0 110.7 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--O 1.248 0.991 0 C-N-CA 125.679 1.592 . . . . 0.0 111.986 -179.659 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.682 0 O4'-C1'-N19 110.177 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.725 0 O5'-C5'-C4' 114.856 3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.148 0 P-O3'-C3' 123.997 3.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.679 0 P-O3'-C3' 124.073 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.227 1 O4'-C1'-N19 112.011 5.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.597 0 O5'-C5'-C4' 113.794 2.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.265 0 O4'-C1'-N19 110.974 3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.304 2 O4'-C1'-N19 113.204 6.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.309 0 O5'-C5'-C4' 114.904 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.984 0 O4'-C1'-N19 110.801 3.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.017 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.072 0 P-O3'-C3' 123.872 3.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.576 2 O4'-C1'-N19 111.656 4.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.269 0 O4'-C1'-N19 110.118 2.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 1 O4'-C1'-N19 112.395 5.744 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 O3'-P-O5' 97.492 -3.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.869 0 O4'-C1'-N19 109.697 2.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.721 3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 1 P-O3'-C3' 124.827 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.686 1 O4'-C1'-N19 111.475 4.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.922 0 O4'-C1'-N19 110.606 3.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 88' ' ' ' DA' . . . . . 0.519 " H1'" ' C8 ' ' C' ' 89' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 112.33 5.663 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 89' ' ' ' DG' . . . . . 0.519 ' C8 ' " H1'" ' C' ' 88' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.216 0 O4'-C1'-N19 110.942 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.646 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.454 0 P-O3'-C3' 124.111 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.746 0 P-O3'-C3' 122.915 2.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.394 0.616 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -58.41 -29.34 66.01 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.22 -0.925 . . . . 0.0 113.478 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -61.6 -38.0 85.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.62 -0.705 . . . . 0.0 112.035 172.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -64.41 -46.23 84.15 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.408 1.004 . . . . 0.0 110.049 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.06 -36.87 78.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.932 0.893 . . . . 0.0 111.797 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.66 -19.23 65.17 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -95.81 -36.55 11.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.184 1.356 . . . . 0.0 112.227 167.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.5 mt -66.73 -46.21 76.2 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.761 0.825 . . . . 0.0 111.929 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.02 -39.86 75.57 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.078 0.853 . . . . 0.0 112.276 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.05 66.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.93 0.892 . . . . 0.0 112.289 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -87.48 -41.74 13.3 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.74 0.816 . . . . 0.0 111.498 170.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -62.27 -24.04 67.05 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.766 1.227 . . . . 0.0 113.799 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -9.97 59.65 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt-85 -120.97 -21.94 6.35 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.629 1.572 . . . . 0.0 114.646 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -152.75 105.99 3.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.619 1.567 . . . . 0.0 110.45 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -82.06 -14.6 55.61 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -135.41 61.4 44.04 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.95 1.3 . . . . 0.0 112.857 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -69.7 139.24 39.94 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.521 2.814 . . . . 0.0 114.297 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.43 156.91 35.41 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.026 2.13 . . . . 0.0 112.63 169.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 ptp -54.47 -34.52 61.69 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.967 -1.083 . . . . 0.0 113.76 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.2 p -59.1 -27.75 65.86 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.938 1.295 . . . . 0.0 113.205 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.4 m -94.54 -38.25 10.98 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.799 1.639 . . . . 0.0 111.847 173.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -62.76 -31.82 72.85 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.246 -0.909 . . . . 0.0 112.227 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.83 -28.94 63.9 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 171.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.27 -46.66 69.81 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.889 1.222 . . . . 0.0 110.743 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -54.91 -37.71 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.95 0.9 . . . . 0.0 110.727 174.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.76 78.92 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.059 0.944 . . . . 0.0 113.482 173.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.53 -45.15 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 120.029 1.286 . . . . 0.0 110.909 172.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -68.84 -16.24 63.72 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 p -116.04 -10.65 11.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.69 1.596 . . . . 0.0 113.874 -175.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.308 2.9 t30 60.68 28.77 18.48 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 127.73 2.412 . . . . 0.0 115.101 -166.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.82 -168.23 2.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.771 1.628 . . . . 0.0 110.589 169.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 p -130.46 159.06 38.2 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.237 2.215 . . . . 0.0 109.753 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -54.61 -42.07 70.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.7 1.2 . . . . 0.0 113.78 -167.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.52 74.84 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.712 -0.618 . . . . 0.0 112.572 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -65.84 -40.62 91.91 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.062 0.945 . . . . 0.0 110.938 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.16 -44.89 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.701 0.8 . . . . 0.0 110.469 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -62.43 -45.79 91.48 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.624 0.77 . . . . 0.0 112.961 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 m -67.73 -33.14 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 118.394 -0.812 . . . . 0.0 111.573 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -62.97 -47.18 84.29 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.352 0.978 . . . . 0.0 111.166 170.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.38 -45.3 84.62 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.55 -35.01 76.84 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.905 1.23 . . . . 0.0 112.254 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -65.42 -34.16 77.64 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.618 1.099 . . . . 0.0 112.313 169.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.802 0 CA-C-N 120.374 1.443 . . . . 0.0 112.366 176.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 121.739 0.78 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -56.39 -37.64 70.41 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.66 1.184 . . . . 0.0 113.194 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -68.32 -28.61 67.31 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.481 -0.762 . . . . 0.0 112.834 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -75.07 -44.16 49.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.963 0.905 . . . . 0.0 110.736 171.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.62 -34.34 69.19 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.173 0.989 . . . . 0.0 112.783 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -61.58 -17.08 53.51 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -90.15 -38.3 13.6 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.834 1.652 . . . . 0.0 112.464 165.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.15 -47.03 66.11 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.981 0.913 . . . . 0.0 112.057 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.45 -38.47 77.81 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.642 -0.661 . . . . 0.0 112.116 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.78 78.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.891 0.876 . . . . 0.0 112.042 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.9 m -68.26 -49.13 62.67 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.077 0.551 . . . . 0.0 110.698 172.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -56.53 -33.27 65.9 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.31 0.959 . . . . 0.0 113.416 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -72.01 -5.13 32.84 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -136.13 -15.61 1.71 Allowed 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -158.83 119.54 3.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.495 1.918 . . . . 0.0 111.386 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -86.37 -12.45 49.24 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 171.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -131.1 67.47 80.76 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.976 1.31 . . . . 0.0 112.298 -168.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -69.6 132.98 24.73 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.227 2.618 . . . . 0.0 111.566 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -73.81 163.21 28.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.072 1.349 . . . . 0.0 112.734 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -53.13 -33.18 51.23 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 172.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.9 p -75.28 -18.29 60.1 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.777 1.631 . . . . 0.0 113.666 176.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.2 m -102.12 -38.75 7.58 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.657 1.583 . . . . 0.0 111.776 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -61.8 -32.04 72.31 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.218 -0.926 . . . . 0.0 111.945 173.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.85 -31.51 64.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 117.915 -1.04 . . . . 0.0 113.684 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -65.15 -48.7 72.6 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.043 1.292 . . . . 0.0 110.36 170.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.3 mt -55.21 -40.37 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.74 0.816 . . . . 0.0 110.706 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.18 -30.75 70.79 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.86 -54.58 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 120.202 1.365 . . . . 0.0 110.116 170.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -64.35 -23.56 67.34 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -108.41 3.01 22.82 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.927 1.691 . . . . 0.0 114.485 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.1 t30 53.18 40.23 30.92 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.045 1.738 . . . . 0.0 114.36 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.1 -178.01 3.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.466 1.906 . . . . 0.0 111.331 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.2 p -114.67 158.45 21.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.813 1.245 . . . . 0.0 109.496 153.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -62.67 -30.3 71.29 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.558 -1.339 . . . . 0.0 113.289 -169.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.35 -41.03 68.65 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.947 0.899 . . . . 0.0 112.326 173.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 mmm-85 -71.17 -32.28 68.72 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.654 -0.654 . . . . 0.0 111.904 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.09 -42.68 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.353 0.661 . . . . 0.0 110.678 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -63.56 -43.84 95.86 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.864 1.265 . . . . 0.0 111.722 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 t -56.49 -47.18 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.9 1.68 . . . . 0.0 111.34 170.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -62.45 -46.23 89.49 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.783 0.72 . . . . 0.0 111.581 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -63.58 -49.21 74.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.706 0.684 . . . . 0.0 112.682 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -34.03 74.78 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.807 1.185 . . . . 0.0 112.903 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -73.51 -22.85 60.01 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 120.773 -1.204 . . . . 0.0 112.856 170.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 . . . . . 0 N--CA 1.477 0.911 0 O-C-N 120.278 -1.514 . . . . 0.0 111.924 166.655 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.646 0.26 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 m -66.11 -17.51 64.76 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.918 -1.114 . . . . 0.0 113.286 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -70.07 -35.14 74.01 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.934 -1.104 . . . . 0.0 111.049 168.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -80.56 -48.49 12.64 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.631 0.773 . . . . 0.0 111.6 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.5 -36.72 79.03 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.398 1.079 . . . . 0.0 112.694 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -66.39 -24.46 66.48 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -77.73 -40.43 41.17 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.525 1.057 . . . . 0.0 110.656 170.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 mt -71.48 -48.92 46.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.918 1.687 . . . . 0.0 112.862 -175.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.9 -39.01 83.67 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.109 0.868 . . . . 0.0 112.626 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.13 77.49 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.893 -0.504 . . . . 0.0 111.048 175.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.2 m -66.08 -45.81 79.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.737 0.415 . . . . 0.0 111.126 169.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -58.72 -36.84 74.93 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.203 0.911 . . . . 0.0 112.579 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -70.58 -8.89 54.96 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -115.29 -23.66 8.81 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 172.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -156.64 113.55 3.1 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.008 1.723 . . . . 0.0 110.382 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.5 mtm-85 -78.38 -9.5 59.3 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -134.5 54.05 10.89 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.098 1.359 . . . . 0.0 113.622 -164.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -62.08 134.86 51.61 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.962 2.441 . . . . 0.0 113.091 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.69 165.45 25.04 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.65 1.58 . . . . 0.0 112.872 176.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -51.13 -33.13 25.31 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -77.29 -31.95 55.11 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.58 0.752 . . . . 0.0 112.368 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.4 m -76.56 -40.34 50.07 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.313 -0.867 . . . . 0.0 111.371 171.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -63.46 -32.84 74.4 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.06 -1.025 . . . . 0.0 112.293 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.89 -29.03 50.02 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.89 -44.69 88.79 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.512 1.505 . . . . 0.0 111.515 170.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.8 mt -55.7 -39.4 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.41 0.684 . . . . 0.0 110.25 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.24 -22.25 62.92 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 175.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.3 t -76.87 -38.48 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 120.472 1.487 . . . . 0.0 111.14 169.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -69.3 -43.9 72.88 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.098 0.863 . . . . 0.0 112.108 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -88.2 -6.89 57.58 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 t30 53.74 37.6 26.6 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.803 1.241 . . . . 0.0 113.644 -170.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -102.09 -154.19 0.48 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.214 1.806 . . . . 0.0 110.194 174.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.47 149.37 45.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.622 1.569 . . . . 0.0 110.99 174.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -50.23 -47.36 54.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.605 1.562 . . . . 0.0 114.857 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.66 -27.4 65.96 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.593 1.088 . . . . 0.0 112.386 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -65.24 -38.27 89.84 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.967 -1.083 . . . . 0.0 111.025 171.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.73 -39.24 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.713 0.805 . . . . 0.0 110.794 171.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -58.13 -48.25 80.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.984 1.314 . . . . 0.0 111.83 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 m -74.87 -23.53 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -65.18 -51.16 62.79 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.302 0.956 . . . . 0.0 110.461 167.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.71 -41.08 98.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 118.532 -0.747 . . . . 0.0 112.745 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -61.96 -42.33 99.0 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.556 1.071 . . . . 0.0 112.623 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -75.71 -26.62 57.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.454 0.57 . . . . 0.0 112.395 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.469 0.515 0 CA-C-N 118.643 0.656 . . . . 0.0 112.098 169.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -55.33 -35.77 65.52 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.64 -0.662 . . . . 0.0 112.426 174.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -62.21 -30.55 71.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.434 0.694 . . . . 0.0 112.843 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -82.23 -47.38 12.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.827 0.851 . . . . 0.0 111.378 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.54 -28.46 69.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.285 1.034 . . . . 0.0 113.423 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -49.43 -39.48 33.07 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.031 1.732 . . . . 0.0 113.311 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -82.29 -25.95 33.53 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.951 0.796 . . . . 0.0 112.665 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -75.34 -45.94 36.33 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.085 0.954 . . . . 0.0 110.996 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -65.42 -39.46 92.15 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.772 0.714 . . . . 0.0 112.255 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.82 -32.74 74.35 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.1 m -76.58 -44.72 33.42 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.472 0.709 . . . . 0.0 111.129 174.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -56.74 -35.89 69.11 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.251 1.02 . . . . 0.0 112.866 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.93 -16.27 49.58 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -123.82 -30.51 3.54 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -147.22 118.71 7.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.824 1.25 . . . . 0.0 110.279 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -93.95 -6.52 45.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.32 1.048 . . . . 0.0 113.223 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -131.06 63.13 69.25 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.054 1.341 . . . . 0.0 113.49 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -71.68 133.56 22.35 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 123.541 2.827 . . . . 0.0 112.947 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.41 152.49 29.56 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.025 1.33 . . . . 0.0 112.832 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.5 ptp -47.02 -37.65 9.61 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.022 1.329 . . . . 0.0 114.137 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 t -69.74 -35.02 74.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.19 0.596 . . . . 0.0 111.896 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m -74.56 -36.72 63.08 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.057 0.943 . . . . 0.0 111.519 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -61.25 -37.61 83.7 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 118.519 -0.753 . . . . 0.0 112.076 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -73.8 -30.83 62.95 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.54 -45.06 92.29 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.517 1.508 . . . . 0.0 110.946 170.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.8 mt -57.29 -36.56 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.443 -0.786 . . . . 0.0 111.042 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.98 -19.21 61.26 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.73 -42.36 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 120.347 1.43 . . . . 0.0 110.027 166.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -65.14 -45.31 85.57 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.236 0.614 . . . . 0.0 111.652 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 p -98.99 0.71 44.45 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -172.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 58.07 43.85 20.27 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.396 1.479 . . . . 0.0 113.263 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mp -105.63 -158.15 0.65 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.167 2.187 . . . . 0.0 110.367 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.9 p -129.47 168.06 16.9 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.919 1.287 . . . . 0.0 109.414 157.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -49.94 -45.91 51.68 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.615 -0.678 . . . . 0.0 112.268 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.04 99.55 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.487 0.715 . . . . 0.0 112.045 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -62.42 -36.75 83.35 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.248 -0.908 . . . . 0.0 112.737 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.65 -44.45 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.003 0.521 . . . . 0.0 110.382 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -56.07 -47.75 77.39 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.598 1.159 . . . . 0.0 112.237 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.37 -36.68 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 118.892 -0.575 . . . . 0.0 112.105 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -60.67 -38.19 84.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.819 0.736 . . . . 0.0 112.058 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -71.11 -47.27 59.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.284 -0.865 . . . . 0.0 113.216 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -64.74 -35.8 82.22 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 120.68 1.582 . . . . 0.0 112.124 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -65.98 -24.35 66.76 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.543 -0.723 . . . . 0.0 112.804 170.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.015 0 CA-C-N 119.859 1.209 . . . . 0.0 113.658 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 p . . . . . 0 N--CA 1.474 0.753 0 CA-C-O 120.974 0.416 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 m -61.52 -36.17 79.78 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.511 -1.368 . . . . 0.0 112.566 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.64 -29.03 69.01 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.481 -0.762 . . . . 0.0 112.456 172.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -78.21 -47.82 17.18 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.097 0.862 . . . . 0.0 110.95 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.53 -41.68 86.03 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.132 0.973 . . . . 0.0 112.496 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -61.03 -30.43 70.31 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -86.73 -29.34 22.46 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.556 1.071 . . . . 0.0 112.359 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.84 -45.05 75.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.643 0.777 . . . . 0.0 111.341 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -68.49 -37.83 80.47 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.319 -0.863 . . . . 0.0 112.888 174.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -20.02 66.24 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.874 0.87 . . . . 0.0 112.58 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -84.2 -49.45 8.81 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.572 1.149 . . . . 0.0 111.19 168.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.87 -36.32 74.42 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.286 -0.884 . . . . 0.0 112.823 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -4.84 16.9 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 176.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -118.47 -24.26 6.88 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 167.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -151.9 113.66 4.41 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.295 1.038 . . . . 0.0 112.313 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -80.73 -11.16 59.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.7 1.2 . . . . 0.0 114.082 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -143.34 56.39 4.59 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.384 1.474 . . . . 0.0 114.272 -169.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -61.23 141.98 94.91 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.176 2.584 . . . . 0.0 112.991 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.46 154.7 31.42 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.901 1.28 . . . . 0.0 112.374 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 ptm -49.53 -40.2 37.13 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.141 0.976 . . . . 0.0 113.129 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -74.14 -17.47 60.92 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.5 m -92.9 -39.72 11.0 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.091 1.756 . . . . 0.0 111.545 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -57.74 -35.12 70.28 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.048 0.939 . . . . 0.0 112.136 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.9 -18.03 60.48 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.96 -44.1 27.8 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 120.575 1.534 . . . . 0.0 110.984 169.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.9 mt -56.08 -33.94 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.193 0.997 . . . . 0.0 110.681 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.33 -20.37 66.07 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.68 -53.56 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 120.462 1.483 . . . . 0.0 110.614 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -61.94 -38.55 88.87 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.899 0.879 . . . . 0.0 111.137 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -86.76 -8.47 57.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.971 1.709 . . . . 0.0 114.218 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.4 t30 59.95 24.84 13.97 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 125.219 1.407 . . . . 0.0 114.17 -173.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.74 -173.64 4.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.074 1.75 . . . . 0.0 111.931 171.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.0 m -124.73 151.93 44.43 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.377 2.271 . . . . 0.0 107.801 165.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -47.54 -45.5 26.84 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 120.338 1.426 . . . . 0.0 114.658 -172.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.43 72.38 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -65.71 -40.29 92.07 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.192 0.997 . . . . 0.0 111.022 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.45 -41.85 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.79 0.836 . . . . 0.0 110.296 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -59.96 -45.16 93.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.821 1.248 . . . . 0.0 112.499 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.0 -49.03 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.214 1.006 . . . . 0.0 110.698 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -61.88 -39.04 90.53 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.98 -44.51 65.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.015 0.926 . . . . 0.0 112.815 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -65.56 -33.56 76.2 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.959 1.254 . . . . 0.0 112.08 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -68.66 -36.77 78.99 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.289 0.95 . . . . 0.0 113.258 170.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.933 0 CA-C-N 119.621 1.1 . . . . 0.0 112.198 173.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 121.201 0.524 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 m -60.25 -30.08 69.2 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.405 -0.809 . . . . 0.0 112.583 172.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -67.95 -42.34 81.11 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.273 1.397 . . . . 0.0 112.766 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -58.13 -42.95 86.92 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.05 1.295 . . . . 0.0 110.307 173.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.77 -34.85 78.73 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.828 0.851 . . . . 0.0 113.125 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -70.63 -10.1 58.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -93.9 -38.19 11.33 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.847 1.203 . . . . 0.0 111.602 163.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.2 mt -69.49 -51.14 38.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.062 1.345 . . . . 0.0 112.45 -177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.54 -37.62 74.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.53 1.132 . . . . 0.0 111.984 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.04 79.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.345 0.658 . . . . 0.0 111.601 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.7 m -71.47 -47.02 58.27 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.803 -0.561 . . . . 0.0 111.293 170.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -56.47 -36.91 69.62 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.03 0.932 . . . . 0.0 112.903 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.35 -0.85 13.45 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -130.72 -18.6 3.07 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 170.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -149.37 90.15 1.7 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.439 1.896 . . . . 0.0 109.197 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -72.44 -18.2 61.72 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.826 1.251 . . . . 0.0 113.237 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -130.01 66.37 77.56 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 126.15 1.78 . . . . 0.0 111.269 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -71.34 175.39 9.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.59 2.86 . . . . 0.0 113.85 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.87 157.25 17.61 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.106 1.762 . . . . 0.0 113.445 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -54.89 -30.75 58.92 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -79.19 -39.18 34.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.752 0.705 . . . . 0.0 111.258 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.2 m -64.57 -40.15 95.03 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.846 -1.159 . . . . 0.0 111.788 169.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -64.63 -36.35 83.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.339 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.68 -30.23 61.5 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.088 1.313 . . . . 0.0 113.826 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.76 -46.01 76.74 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.844 1.202 . . . . 0.0 110.901 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.99 -31.83 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.606 -0.684 . . . . 0.0 111.166 173.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.93 -32.94 74.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 118.475 -0.774 . . . . 0.0 112.985 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.45 -48.27 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 119.908 1.231 . . . . 0.0 110.295 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -65.87 -26.8 67.8 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.3 p -109.39 -2.48 17.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.862 1.665 . . . . 0.0 114.275 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t30 55.93 41.35 30.02 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.902 1.681 . . . . 0.0 114.336 -172.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.88 -169.3 1.66 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.519 1.927 . . . . 0.0 109.929 171.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.9 p -117.65 162.9 17.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.736 1.214 . . . . 0.0 110.423 158.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -47.64 -46.25 28.64 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.918 0.887 . . . . 0.0 112.7 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.12 80.96 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.467 0.707 . . . . 0.0 111.809 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -66.78 -35.09 79.28 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 120.982 -1.074 . . . . 0.0 112.911 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.8 t -65.86 -42.08 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.754 0.706 . . . . 0.0 110.864 172.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -62.61 -43.39 98.93 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.279 1.032 . . . . 0.0 111.902 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.18 -44.27 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.269 1.428 . . . . 0.0 111.149 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -60.57 -45.3 94.43 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.455 0.57 . . . . 0.0 111.905 174.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.78 -44.89 95.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.786 0.721 . . . . 0.0 112.473 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -67.62 -36.23 80.42 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.127 0.876 . . . . 0.0 112.428 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -68.86 -36.74 78.5 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.593 1.088 . . . . 0.0 113.46 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 . . . . . 0 N--CA 1.477 0.902 0 CA-C-N 120.326 1.421 . . . . 0.0 111.736 175.272 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.475 0.788 0 CA-C-O 120.946 0.403 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -56.14 -38.61 71.08 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.382 -0.824 . . . . 0.0 111.808 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -58.19 -35.69 71.99 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.667 1.187 . . . . 0.0 113.076 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -76.44 -43.5 39.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.62 0.768 . . . . 0.0 111.202 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.19 -32.96 72.71 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.25 -22.74 67.06 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -91.43 -32.91 15.45 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.34 1.427 . . . . 0.0 112.356 170.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.34 -49.65 68.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.309 1.043 . . . . 0.0 111.101 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -70.94 -34.15 71.19 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.467 -0.771 . . . . 0.0 112.936 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.42 75.93 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.561 -0.712 . . . . 0.0 112.274 173.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -71.15 -41.03 70.94 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.158 0.583 . . . . 0.0 110.971 170.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -65.91 -24.46 66.84 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.178 -0.951 . . . . 0.0 113.32 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.19 -0.35 11.78 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 166.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -137.18 -20.41 1.23 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -156.4 126.15 6.34 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.402 1.881 . . . . 0.0 110.261 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -89.94 -15.72 31.43 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.561 1.144 . . . . 0.0 113.862 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -133.07 61.61 56.79 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.751 1.221 . . . . 0.0 113.101 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -61.22 141.16 92.38 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.085 2.523 . . . . 0.0 112.527 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -92.95 168.65 11.01 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.328 1.451 . . . . 0.0 111.329 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.8 ptm -53.31 -26.88 20.32 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 -174.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 t -85.14 -31.49 23.26 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.43 1.092 . . . . 0.0 112.631 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -47.35 62.51 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.831 -1.168 . . . . 0.0 110.974 172.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -64.94 -32.09 73.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.239 1.415 . . . . 0.0 112.529 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.74 -29.78 61.28 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -71.79 -41.4 68.34 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.702 1.137 . . . . 0.0 110.834 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -55.14 -36.36 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.828 -0.545 . . . . 0.0 110.14 169.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.35 -17.84 61.24 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.06 -53.12 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 120.452 1.478 . . . . 0.0 109.241 163.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -66.5 -38.03 86.34 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 p -89.32 -4.16 58.21 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.041 1.336 . . . . 0.0 114.527 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.2 t30 56.38 54.07 8.02 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.816 1.646 . . . . 0.0 113.464 -172.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mp -114.69 -165.93 1.06 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.778 2.431 . . . . 0.0 111.078 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 p -112.3 161.2 16.89 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.39 -0.819 . . . . 0.0 110.122 152.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -52.31 -43.26 64.42 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.883 0.873 . . . . 0.0 112.416 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.76 79.22 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.747 0.819 . . . . 0.0 112.78 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 45.4 mmm-85 -69.02 -34.75 75.76 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.734 -1.229 . . . . 0.0 112.553 173.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -64.18 -43.59 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.533 0.606 . . . . 0.0 110.303 171.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -58.11 -46.93 84.73 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.627 1.171 . . . . 0.0 112.188 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.6 -43.31 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.172 1.389 . . . . 0.0 111.738 176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -63.13 -47.47 82.62 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.835 0.743 . . . . 0.0 111.848 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.13 -44.91 94.55 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.104 0.562 . . . . 0.0 112.272 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -68.67 -40.85 79.96 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.24 0.927 . . . . 0.0 112.864 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.0 -24.37 66.02 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.965 1.257 . . . . 0.0 113.37 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 . . . . . 0 N--CA 1.471 0.585 0 C-N-CA 124.91 1.284 . . . . 0.0 112.201 170.262 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -56.92 -32.1 65.6 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 121.028 -1.045 . . . . 0.0 112.599 171.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -66.09 -38.86 89.32 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.827 0.851 . . . . 0.0 111.825 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -75.71 -41.38 53.7 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.459 0.704 . . . . 0.0 111.285 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.71 -35.78 75.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.993 0.917 . . . . 0.0 111.976 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -66.66 -2.44 4.9 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 175.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -111.31 -29.05 7.97 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.014 1.279 . . . . 0.0 112.979 162.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.92 -49.37 65.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.076 0.95 . . . . 0.0 111.468 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.55 -35.37 73.08 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.032 -1.042 . . . . 0.0 112.232 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.77 -18.26 62.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 171.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 m -87.56 -45.76 10.16 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.792 0.837 . . . . 0.0 111.324 166.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -58.23 -25.79 62.1 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -68.39 -21.36 64.7 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 171.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -123.29 -18.55 6.24 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -155.85 132.74 10.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.956 1.302 . . . . 0.0 110.56 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.2 mtp85 -107.61 -10.78 15.59 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.913 1.685 . . . . 0.0 113.016 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -135.01 51.81 6.48 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.8 1.64 . . . . 0.0 112.62 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.58 142.69 72.21 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.651 2.901 . . . . 0.0 113.888 -171.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.53 157.83 36.39 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.712 1.605 . . . . 0.0 113.229 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.7 ptp -44.67 -40.16 5.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.512 1.125 . . . . 0.0 113.98 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 p -66.16 -36.08 82.15 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.579 1.152 . . . . 0.0 113.02 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 m -76.96 -42.64 38.31 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.625 1.57 . . . . 0.0 110.741 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 -65.72 -37.3 86.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.458 -0.782 . . . . 0.0 112.465 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.76 -32.43 70.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.349 0.977 . . . . 0.0 112.953 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -73.71 -41.66 62.29 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.611 1.096 . . . . 0.0 112.222 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.4 mt -57.54 -39.28 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.271 -0.893 . . . . 0.0 110.353 170.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.32 83.54 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 118.241 -0.885 . . . . 0.0 113.044 172.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.12 -49.01 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.276 1.398 . . . . 0.0 110.832 171.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -64.24 -44.92 90.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.72 0.691 . . . . 0.0 111.824 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p -88.53 -6.23 57.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 54.78 33.81 20.47 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.118 1.767 . . . . 0.0 114.175 -169.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -84.96 -173.73 4.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.84 1.656 . . . . 0.0 110.06 163.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.0 p -114.51 164.87 13.39 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.947 1.299 . . . . 0.0 110.284 160.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -53.63 -43.13 68.48 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.957 0.903 . . . . 0.0 111.968 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.97 82.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.821 0.848 . . . . 0.0 112.195 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -62.91 -36.76 84.43 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.177 -0.952 . . . . 0.0 112.341 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -65.85 -45.29 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.158 0.583 . . . . 0.0 110.704 172.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -58.99 -44.83 91.67 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.318 1.047 . . . . 0.0 111.999 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.51 -44.04 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.767 1.227 . . . . 0.0 111.866 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -60.27 -43.17 96.43 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.699 0.681 . . . . 0.0 111.443 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -64.72 -47.53 77.94 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -62.89 -39.52 94.72 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 120.133 1.333 . . . . 0.0 112.297 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -68.05 -35.84 78.89 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.359 0.982 . . . . 0.0 112.744 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.145 0 CA-C-N 119.607 1.094 . . . . 0.0 113.281 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 121.004 0.43 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -63.25 -31.73 72.96 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.873 -1.142 . . . . 0.0 112.082 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -60.79 -32.23 71.57 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.611 1.165 . . . . 0.0 113.047 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -73.7 -48.95 28.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.342 0.974 . . . . 0.0 110.85 172.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.29 -36.89 81.31 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -26.17 67.47 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -175.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -83.34 -28.38 29.06 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.224 1.009 . . . . 0.0 112.636 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.42 -44.41 44.67 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.381 1.072 . . . . 0.0 110.822 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -63.86 -41.66 97.73 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.21 0.459 . . . . 0.0 111.769 171.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.42 -30.15 71.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.491 0.716 . . . . 0.0 112.536 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.0 m -72.68 -53.86 10.58 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.242 0.617 . . . . 0.0 110.578 170.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.49 -38.38 69.07 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.101 0.864 . . . . 0.0 112.348 -176.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.94 -16.98 62.11 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.128 1.371 . . . . 0.0 114.685 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ptm85 -110.98 -23.95 10.65 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.758 1.223 . . . . 0.0 113.756 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -155.46 104.69 2.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.042 1.737 . . . . 0.0 110.193 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -75.24 -8.01 55.45 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.323 1.049 . . . . 0.0 113.756 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -138.02 58.31 15.24 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.671 1.589 . . . . 0.0 112.834 -167.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -66.36 131.47 26.58 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.393 2.062 . . . . 0.0 111.175 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -77.87 167.43 21.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.09 1.356 . . . . 0.0 111.437 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 ptp -51.47 -42.34 61.55 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.9 p -58.62 -39.53 80.74 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.665 1.986 . . . . 0.0 112.931 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m -79.3 -43.6 23.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.507 1.923 . . . . 0.0 111.753 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -64.53 -41.06 96.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.85 0.86 . . . . 0.0 111.688 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -71.47 -31.54 67.27 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.779 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.98 -49.15 75.83 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.578 1.081 . . . . 0.0 112.2 167.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.91 -38.85 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.141 -0.974 . . . . 0.0 110.545 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.12 -31.07 71.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.017 0.927 . . . . 0.0 113.183 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.1 t -67.43 -44.5 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 119.867 1.212 . . . . 0.0 111.332 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -65.25 -42.56 93.17 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.179 0.9 . . . . 0.0 112.635 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.2 p -95.82 -3.56 45.37 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.67 1.588 . . . . 0.0 114.468 -173.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.274 16.5 t-20 54.61 37.34 27.91 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.294 2.238 . . . . 0.0 114.659 -170.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -85.55 -163.88 0.93 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.393 1.877 . . . . 0.0 110.962 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.8 p -120.03 161.75 20.41 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.645 1.178 . . . . 0.0 111.079 160.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.78 -28.44 34.84 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.38 1.872 . . . . 0.0 112.984 171.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.0 -39.4 30.09 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 169.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.45 -34.81 69.36 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.559 1.527 . . . . 0.0 111.838 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.19 -47.61 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.491 0.587 . . . . 0.0 111.14 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -56.59 -49.72 74.05 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.695 0.798 . . . . 0.0 111.67 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.14 -41.84 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.233 1.013 . . . . 0.0 111.323 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -62.88 -36.99 85.15 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.568 -0.707 . . . . 0.0 112.438 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.06 -51.15 49.98 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.561 1.144 . . . . 0.0 112.351 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -35.91 82.56 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.838 1.199 . . . . 0.0 113.12 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -68.4 -14.52 63.06 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 121.223 -0.923 . . . . 0.0 112.916 172.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.271 0 C-N-CA 124.863 1.265 . . . . 0.0 113.474 168.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.4 m -62.07 -37.33 84.62 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.029 -1.044 . . . . 0.0 112.856 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -65.07 -33.03 75.07 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.584 1.154 . . . . 0.0 112.611 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.21 -50.52 60.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.728 0.694 . . . . 0.0 109.942 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.68 -19.77 65.18 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -57.79 -28.52 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.596 1.089 . . . . 0.0 113.387 173.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -82.51 -35.79 27.01 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.893 1.224 . . . . 0.0 112.233 171.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -69.85 -42.26 73.8 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.568 0.747 . . . . 0.0 111.222 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.8 -39.93 79.83 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.521 0.729 . . . . 0.0 112.614 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.37 89.62 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.837 0.455 . . . . 0.0 111.361 172.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 m -66.32 -40.81 90.16 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.63 -0.669 . . . . 0.0 111.418 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.06 -19.54 65.29 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.858 -1.151 . . . . 0.0 113.745 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.7 -10.08 59.13 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 171.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -130.03 -26.85 2.34 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -147.1 101.24 3.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.436 1.495 . . . . 0.0 110.114 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -80.54 -9.24 59.78 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.103 1.761 . . . . 0.0 112.94 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -132.26 62.47 63.5 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.798 1.639 . . . . 0.0 111.482 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -67.77 142.5 58.04 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.028 2.486 . . . . 0.0 113.227 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -88.91 164.55 15.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.297 2.239 . . . . 0.0 111.912 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ptp -53.39 -38.49 63.45 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -67.53 -21.93 65.44 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 127.044 2.137 . . . . 0.0 114.401 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.7 m -98.39 -37.98 9.4 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.509 1.524 . . . . 0.0 111.056 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -63.35 -35.01 78.98 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.267 -0.895 . . . . 0.0 112.041 174.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.74 -29.87 62.48 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -67.19 -47.13 71.83 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.058 1.299 . . . . 0.0 111.03 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.12 -34.96 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.406 0.682 . . . . 0.0 110.994 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.92 96.18 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 172.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.6 -43.38 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.417 -0.802 . . . . 0.0 111.393 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -63.88 -32.92 74.61 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.308 0.643 . . . . 0.0 112.446 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -97.1 -8.96 28.96 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -173.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t30 64.81 46.04 3.13 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.167 1.387 . . . . 0.0 113.038 -168.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.01 -172.29 2.55 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.808 2.043 . . . . 0.0 111.044 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.94 148.26 47.04 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.316 2.246 . . . . 0.0 110.803 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -56.95 -41.64 78.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.797 1.239 . . . . 0.0 113.799 -167.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.66 -30.19 71.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.934 0.894 . . . . 0.0 112.67 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -71.4 -41.43 69.62 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.215 0.606 . . . . 0.0 111.927 172.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.89 -44.83 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.57 0.748 . . . . 0.0 110.066 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -54.98 -43.92 73.96 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.695 1.198 . . . . 0.0 112.386 174.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.4 t -72.3 -37.52 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 117.949 -1.024 . . . . 0.0 112.653 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -60.9 -42.0 97.17 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.514 1.507 . . . . 0.0 111.602 170.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.8 -42.14 86.46 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -68.59 -36.22 78.41 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.796 1.18 . . . . 0.0 112.172 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -70.52 -32.7 70.26 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.472 1.033 . . . . 0.0 112.285 175.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.483 1.213 0 C-N-CA 125.135 1.374 . . . . 0.0 113.069 171.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.472 0.673 0 CA-C-O 120.918 0.39 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.3 p -58.23 -18.24 24.95 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -77.79 -38.51 46.49 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.775 1.171 . . . . 0.0 111.922 169.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -75.87 -44.78 39.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.188 0.595 . . . . 0.0 111.575 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.93 -32.72 73.16 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.037 0.935 . . . . 0.0 113.474 -171.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.48 -23.93 67.61 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -85.67 -31.12 22.69 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.847 1.203 . . . . 0.0 112.509 171.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.16 -44.94 28.41 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.45 -0.781 . . . . 0.0 111.343 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.39 -43.59 85.42 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.708 0.685 . . . . 0.0 111.847 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -34.54 75.65 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.539 -0.726 . . . . 0.0 112.215 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.3 m -67.06 -44.74 79.34 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.52 0.728 . . . . 0.0 110.894 171.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -62.71 -18.27 62.2 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.503 1.047 . . . . 0.0 113.587 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -76.68 -26.29 54.6 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 120.479 -1.388 . . . . 0.0 112.314 170.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -115.11 -20.0 10.62 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -172.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -156.13 118.13 4.0 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.358 1.463 . . . . 0.0 110.434 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -71.56 -21.87 61.82 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.078 0.951 . . . . 0.0 113.279 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -138.12 74.91 41.96 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.375 1.47 . . . . 0.0 111.274 -169.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.52 149.82 87.33 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.542 2.828 . . . . 0.0 113.008 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.14 168.06 20.14 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.586 1.154 . . . . 0.0 112.321 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.3 ptp -62.19 -25.09 67.59 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.464 -1.398 . . . . 0.0 113.135 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.9 p -73.26 -43.4 61.17 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.632 1.573 . . . . 0.0 112.445 170.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -62.88 -45.51 92.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.179 0.992 . . . . 0.0 111.433 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 mtm-85 -72.1 -35.96 69.34 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.43 1.092 . . . . 0.0 112.429 -175.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -70.21 -35.42 73.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.556 1.071 . . . . 0.0 112.371 172.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.62 -42.29 71.12 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.439 1.018 . . . . 0.0 111.873 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.76 -39.32 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 121.333 -0.855 . . . . 0.0 110.741 169.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -15.57 61.5 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.13 -49.84 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 120.339 1.427 . . . . 0.0 109.764 164.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -62.76 -27.58 69.38 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -106.28 -10.95 16.18 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.951 1.7 . . . . 0.0 114.35 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.3 t30 54.7 28.06 9.57 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -165.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.5 mt -75.21 -161.72 0.16 Allowed 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.957 -1.089 . . . . 0.0 110.124 162.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -127.6 153.57 46.25 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.87 -1.144 . . . . 0.0 110.103 165.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -52.42 -43.13 64.65 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.465 1.106 . . . . 0.0 113.184 -174.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.79 83.07 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.833 -0.542 . . . . 0.0 112.14 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -65.94 -22.75 66.51 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.262 -0.899 . . . . 0.0 113.084 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.99 -41.21 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.133 0.878 . . . . 0.0 110.609 172.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -62.46 -43.34 99.06 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.047 0.84 . . . . 0.0 111.976 172.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -57.38 -43.86 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.211 1.004 . . . . 0.0 111.366 173.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -66.03 -47.12 75.44 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.464 -0.773 . . . . 0.0 111.913 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -65.49 -42.82 91.75 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.781 0.719 . . . . 0.0 112.689 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -68.75 -40.01 80.03 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.248 0.931 . . . . 0.0 112.251 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.72 -32.59 73.99 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.489 -0.767 . . . . 0.0 112.092 173.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.116 0 CA-C-N 119.81 1.186 . . . . 0.0 113.344 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.474 0.741 0 CA-C-O 121.263 0.554 . . . . 0.0 112.228 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -60.88 -32.93 72.37 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 120.995 -1.066 . . . . 0.0 112.493 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -69.94 -35.77 74.77 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.101 0.96 . . . . 0.0 112.709 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -68.65 -46.27 69.6 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.072 0.851 . . . . 0.0 110.668 172.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.22 -30.12 69.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.814 0.846 . . . . 0.0 112.57 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -60.7 -38.0 83.56 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.32 -37.75 60.61 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 121.142 1.792 . . . . 0.0 111.495 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.57 -43.24 94.49 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.015 0.926 . . . . 0.0 111.312 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.31 -22.14 30.76 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.53 -37.21 74.05 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.408 0.549 . . . . 0.0 111.6 163.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 m -65.46 -51.47 59.93 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.772 -0.58 . . . . 0.0 110.23 171.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.31 -35.57 70.0 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.223 1.009 . . . . 0.0 113.623 -175.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -25.2 67.21 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.209 -0.932 . . . . 0.0 113.216 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -106.37 -33.86 7.62 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.407 1.483 . . . . 0.0 114.514 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -140.14 105.9 5.15 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.076 1.751 . . . . 0.0 110.965 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -73.72 -15.29 61.22 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -135.27 71.0 68.09 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 119.116 0.871 . . . . 0.0 112.476 -165.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.94 155.24 69.14 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.188 2.592 . . . . 0.0 113.069 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -88.95 159.69 17.51 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.689 1.995 . . . . 0.0 112.221 172.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -49.4 -41.6 39.98 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.6 -16.65 62.3 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.472 1.109 . . . . 0.0 112.652 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.8 m -95.56 -36.0 11.44 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.414 1.486 . . . . 0.0 111.688 170.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -64.48 -36.58 84.64 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.875 -1.14 . . . . 0.0 112.271 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -70.76 -27.14 63.71 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.248 0.931 . . . . 0.0 113.477 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -72.36 -47.7 47.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.933 0.893 . . . . 0.0 110.593 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.3 mt -57.89 -35.72 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.865 0.866 . . . . 0.0 110.791 172.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.65 95.19 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.755 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.46 -45.95 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.361 1.437 . . . . 0.0 110.909 171.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -63.27 -28.61 70.14 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.8 p -108.01 -0.26 21.38 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.998 1.319 . . . . 0.0 113.406 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 54.7 t30 58.68 20.82 8.15 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.538 1.935 . . . . 0.0 115.358 -170.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -75.97 -168.03 0.83 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.027 1.731 . . . . 0.0 111.213 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 p -130.79 155.87 45.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.129 2.172 . . . . 0.0 109.019 164.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -53.37 -40.75 65.21 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -166.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.28 93.3 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.991 0.814 . . . . 0.0 112.275 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -63.51 -38.33 90.71 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.163 -0.961 . . . . 0.0 111.287 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.02 -47.33 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.437 0.695 . . . . 0.0 110.534 173.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -57.12 -41.24 78.66 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.071 0.948 . . . . 0.0 112.228 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.89 -36.74 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.493 1.517 . . . . 0.0 112.619 174.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -61.81 -41.49 97.83 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.922 0.783 . . . . 0.0 111.946 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -68.26 -46.18 71.12 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.762 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -11.55 60.46 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 120.296 1.407 . . . . 0.0 114.751 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -87.6 -26.45 23.07 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 167.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.896 0 CA-C-N 119.878 1.217 . . . . 0.0 112.867 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.3 m -62.04 -29.51 70.34 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.142 -0.974 . . . . 0.0 112.764 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -62.2 -23.61 66.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.608 1.163 . . . . 0.0 112.973 172.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -88.15 -44.26 11.04 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.748 0.819 . . . . 0.0 111.32 168.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.02 -33.3 70.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.757 0.823 . . . . 0.0 113.125 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -64.62 -9.52 20.06 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 175.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -110.43 -36.05 5.88 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.523 1.056 . . . . 0.0 113.094 160.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.18 -53.0 42.81 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.722 1.146 . . . . 0.0 112.339 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -71.77 -36.87 70.5 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.16 0.891 . . . . 0.0 111.478 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.74 68.98 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -81.46 -45.81 15.47 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.185 0.994 . . . . 0.0 111.121 168.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -57.82 -32.97 68.11 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.107 0.867 . . . . 0.0 112.696 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.34 -26.14 68.28 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 173.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -108.97 -22.09 12.33 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -155.57 123.79 5.84 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.684 1.194 . . . . 0.0 110.187 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HB2' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -94.29 -7.18 42.67 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.763 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 24' ' ' ARG . 11.2 m-85 -137.78 46.79 1.42 Allowed Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 124.939 1.296 . . . . 0.0 113.679 -171.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -60.32 149.75 84.08 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 124.186 3.258 . . . . 0.0 114.491 -173.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.85 155.99 39.35 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.362 1.065 . . . . 0.0 113.8 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -47.13 -36.06 7.96 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 175.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 p -61.65 -54.83 37.56 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.273 1.029 . . . . 0.0 112.86 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -57.25 -42.02 80.71 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.059 1.344 . . . . 0.0 111.593 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.1 mtm-85 -68.98 -39.86 79.17 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.845 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.08 -28.03 60.14 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.556 1.071 . . . . 0.0 113.233 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -69.13 -44.53 72.15 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.058 0.844 . . . . 0.0 111.295 170.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.03 -34.68 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 120.971 -1.081 . . . . 0.0 111.548 171.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -27.13 68.0 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.2 t -71.51 -45.16 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 120.374 1.443 . . . . 0.0 111.223 169.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -66.66 -17.73 65.0 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.3 p -114.46 -6.48 12.86 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.593 1.557 . . . . 0.0 113.57 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.3 t30 55.23 32.36 18.37 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.372 1.869 . . . . 0.0 114.748 -168.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.78 -179.28 7.25 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.578 1.551 . . . . 0.0 111.191 167.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 p -106.1 154.29 20.86 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.417 1.487 . . . . 0.0 110.507 157.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -51.21 -46.66 62.3 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -172.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.83 66.87 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -71.43 -39.87 70.76 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.863 -1.148 . . . . 0.0 111.177 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.22 -46.07 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.647 0.779 . . . . 0.0 109.896 169.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -60.99 -42.64 98.81 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.935 0.894 . . . . 0.0 112.991 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.49 -50.04 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.973 1.309 . . . . 0.0 110.475 174.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -55.68 -41.51 73.83 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.513 0.597 . . . . 0.0 112.302 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -66.67 -45.78 77.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.192 0.997 . . . . 0.0 113.407 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -70.01 -34.24 73.05 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.716 1.144 . . . . 0.0 112.412 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -65.76 -31.13 71.93 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.27 0.941 . . . . 0.0 111.716 170.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 CA-C-N 119.41 1.005 . . . . 0.0 112.156 169.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.0 p -55.88 -40.89 73.63 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.977 -1.077 . . . . 0.0 112.17 173.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -68.46 -31.37 70.62 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.38 -45.95 68.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.368 0.667 . . . . 0.0 111.019 170.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.02 -37.06 84.94 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -174.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.81 -43.2 85.56 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -171.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -77.54 -22.85 50.46 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.187 -0.946 . . . . 0.0 113.241 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.9 mt -74.48 -53.08 10.21 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.221 1.409 . . . . 0.0 111.39 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.4 -38.16 89.15 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.775 0.716 . . . . 0.0 112.016 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -32.79 72.51 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.1 m -72.79 -46.03 55.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.781 0.432 . . . . 0.0 110.813 171.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -59.65 -26.69 65.73 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.818 0.847 . . . . 0.0 113.281 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.67 -12.41 61.54 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.519 1.528 . . . . 0.0 114.741 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -129.69 -22.11 3.01 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -157.08 108.29 2.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.184 1.794 . . . . 0.0 109.928 -176.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -86.51 2.95 46.12 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -138.94 46.17 1.09 Allowed Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 125.105 1.362 . . . . 0.0 113.451 -171.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -60.24 129.31 29.42 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.783 2.322 . . . . 0.0 112.176 -173.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -64.3 154.61 34.73 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.15 1.78 . . . . 0.0 112.131 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 ptp -43.24 -41.28 3.82 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -78.0 -33.23 51.37 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.339 0.972 . . . . 0.0 113.192 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -70.68 -39.02 73.76 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.12 0.968 . . . . 0.0 111.378 166.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -65.98 -37.87 87.08 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.266 1.827 . . . . 0.0 112.476 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -76.44 -24.52 53.93 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.8 -42.81 81.02 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.943 1.247 . . . . 0.0 111.038 169.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.59 -35.14 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.751 -0.593 . . . . 0.0 110.116 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.0 -30.32 70.39 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 171.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.52 -47.64 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.611 1.55 . . . . 0.0 110.671 169.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -62.67 -34.71 77.67 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.829 0.741 . . . . 0.0 112.592 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.1 p -98.35 -5.23 33.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.486 1.515 . . . . 0.0 114.569 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.06 45.49 20.87 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.277 1.831 . . . . 0.0 113.429 -173.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.9 -162.81 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.927 2.491 . . . . 0.0 110.231 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 p -125.05 158.59 33.38 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.909 2.083 . . . . 0.0 111.069 164.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -49.35 -49.36 44.68 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.753 1.621 . . . . 0.0 113.642 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.18 86.59 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -66.96 -36.69 82.77 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.832 -1.168 . . . . 0.0 112.318 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.12 -40.33 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 122.92 0.488 . . . . 0.0 110.691 168.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -60.29 -43.17 96.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.884 0.873 . . . . 0.0 112.802 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.44 -46.61 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.588 1.155 . . . . 0.0 111.378 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -60.67 -45.23 94.94 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.989 -0.444 . . . . 0.0 111.456 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.1 -44.43 95.71 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -67.29 -41.07 86.05 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.327 0.967 . . . . 0.0 112.047 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.67 -38.4 90.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.027 0.831 . . . . 0.0 112.057 173.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.8 p . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.111 0.481 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -52.76 -37.32 59.33 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.563 1.145 . . . . 0.0 112.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.63 -31.32 71.4 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.34 1.056 . . . . 0.0 113.491 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -79.11 -47.81 15.45 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.865 0.866 . . . . 0.0 110.828 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.2 -36.51 66.02 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.525 1.13 . . . . 0.0 112.408 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.96 -9.66 10.73 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -99.35 -31.9 11.44 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 121.081 1.764 . . . . 0.0 112.631 165.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.4 -46.62 39.09 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.439 -0.788 . . . . 0.0 110.981 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.64 -37.06 73.73 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.39 -0.819 . . . . 0.0 112.548 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.73 -13.82 62.63 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.702 1.201 . . . . 0.0 113.0 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.4 m -89.03 -54.15 4.26 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.409 1.084 . . . . 0.0 110.351 165.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.87 -28.55 66.23 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 114.209 -173.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -9.37 58.79 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 177.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -123.59 -20.59 5.48 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.482 1.513 . . . . 0.0 114.601 174.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -148.94 114.35 5.57 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.128 1.371 . . . . 0.0 111.562 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -70.29 -19.81 63.07 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.475 1.51 . . . . 0.0 113.834 169.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -119.58 54.26 2.75 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.071 1.348 . . . . 0.0 113.034 -167.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -69.35 125.07 11.9 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.613 2.209 . . . . 0.0 110.601 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.93 170.81 11.91 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -175.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.0 ptp -48.97 -32.15 8.64 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 175.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -80.37 -41.7 24.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 118.861 0.755 . . . . 0.0 112.255 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.1 m -59.13 -42.13 89.9 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.99 0.916 . . . . 0.0 110.51 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -68.31 -38.58 81.75 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.415 1.086 . . . . 0.0 112.909 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.6 -28.48 62.81 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.147 1.339 . . . . 0.0 112.962 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.13 -48.22 74.35 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.139 0.881 . . . . 0.0 111.274 168.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.85 -40.89 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.529 -0.732 . . . . 0.0 110.514 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.89 -23.25 67.17 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.8 t -76.19 -51.76 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.724 1.147 . . . . 0.0 110.267 167.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -66.03 -23.0 66.47 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -174.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.8 p -119.75 2.24 11.1 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.8 t30 50.34 44.49 26.6 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.121 1.769 . . . . 0.0 114.999 -170.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.08 -172.84 2.94 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.672 1.189 . . . . 0.0 109.948 168.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 p -112.6 164.85 12.83 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 152.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -52.11 -42.38 63.23 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.323 -0.861 . . . . 0.0 111.403 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.53 81.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.628 0.771 . . . . 0.0 112.767 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -66.17 -41.41 90.36 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.553 1.07 . . . . 0.0 111.628 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.52 -42.89 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 122.945 0.498 . . . . 0.0 110.035 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -59.42 -24.2 63.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.186 1.394 . . . . 0.0 114.027 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.9 t -83.6 -46.04 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.828 1.251 . . . . 0.0 112.316 172.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -61.71 -40.31 94.58 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.79 0.723 . . . . 0.0 112.107 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -65.87 -48.34 71.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.091 0.957 . . . . 0.0 112.785 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -66.98 -25.51 66.35 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.815 1.189 . . . . 0.0 113.299 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -76.02 -26.95 57.15 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 121.052 -1.03 . . . . 0.0 112.89 168.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.121 0 O-C-N 120.344 -1.472 . . . . 0.0 112.821 170.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.3 m -60.6 -36.58 78.92 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.268 -1.52 . . . . 0.0 112.305 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -64.11 -29.1 70.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.858 1.263 . . . . 0.0 113.328 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -80.54 -42.32 22.61 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.086 0.954 . . . . 0.0 111.317 171.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.78 -34.44 77.25 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.089 1.356 . . . . 0.0 112.979 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.05 -22.57 65.86 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 173.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -87.14 -33.54 19.39 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.666 1.575 . . . . 0.0 111.78 171.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.26 -45.12 74.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.321 1.048 . . . . 0.0 111.879 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -72.84 -34.15 66.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.379 -0.826 . . . . 0.0 112.654 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.85 -27.73 66.95 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.685 -0.634 . . . . 0.0 112.502 173.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.1 m -68.89 -53.19 22.54 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.5 0.72 . . . . 0.0 110.54 166.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -54.06 -37.04 63.75 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.921 0.782 . . . . 0.0 112.864 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -63.45 -24.84 68.0 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -106.88 -28.99 9.76 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.925 1.239 . . . . 0.0 113.997 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -151.11 119.27 6.3 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.504 1.522 . . . . 0.0 111.367 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -76.84 -20.25 56.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.59 1.156 . . . . 0.0 113.494 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -141.35 78.91 18.11 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.508 1.523 . . . . 0.0 111.332 -171.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.25 165.29 22.56 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.135 2.557 . . . . 0.0 113.129 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.8 158.49 24.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.733 1.613 . . . . 0.0 112.085 173.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.8 ptm -53.03 -33.44 51.81 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.014 -1.054 . . . . 0.0 113.071 164.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -75.67 -14.43 60.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.69 1.196 . . . . 0.0 113.745 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.2 m -101.01 -40.13 7.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.894 1.678 . . . . 0.0 111.581 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -56.96 -33.03 66.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.442 -0.786 . . . . 0.0 112.511 174.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -70.42 -29.06 65.57 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 173.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -74.95 -45.7 40.54 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.03 1.286 . . . . 0.0 110.643 178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.22 -41.26 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.246 1.018 . . . . 0.0 109.836 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.78 89.91 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.994 0.918 . . . . 0.0 113.31 174.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.35 -38.99 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 119.927 1.24 . . . . 0.0 111.885 173.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -70.67 -29.21 65.48 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.7 p -106.38 -6.86 17.97 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -172.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 t30 69.91 9.65 7.19 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.263 2.225 . . . . 0.0 115.617 -170.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.08 -178.14 1.55 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.949 1.299 . . . . 0.0 111.66 169.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.9 p -119.23 156.55 29.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.57 1.548 . . . . 0.0 110.217 159.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -42.5 -52.0 4.86 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.423 1.889 . . . . 0.0 114.384 -174.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.86 -21.33 66.4 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -83.31 -35.8 24.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.503 1.121 . . . . 0.0 111.54 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.19 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.152 0.581 . . . . 0.0 110.046 166.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -57.51 -43.32 84.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.809 1.244 . . . . 0.0 112.215 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.19 -53.46 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.401 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -59.31 -42.35 91.18 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.751 1.16 . . . . 0.0 111.994 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.31 -54.89 38.09 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.598 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -67.76 -38.24 83.16 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.245 0.93 . . . . 0.0 112.757 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -68.01 -34.85 77.29 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.508 -0.745 . . . . 0.0 112.027 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 117.694 -1.146 . . . . 0.0 113.479 170.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 121.184 0.516 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -65.22 -25.56 67.75 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.836 -1.165 . . . . 0.0 111.055 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -62.75 -38.08 89.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.571 1.148 . . . . 0.0 112.813 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -68.78 -44.94 72.59 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.179 0.9 . . . . 0.0 111.004 172.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.56 -37.26 85.47 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -63.58 -26.35 68.65 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -83.94 -32.64 24.95 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.793 1.179 . . . . 0.0 112.098 171.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.3 mt -67.86 -50.34 57.06 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.916 0.887 . . . . 0.0 111.568 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.98 -40.03 83.18 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.022 0.828 . . . . 0.0 112.263 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.0 79.76 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.936 -0.477 . . . . 0.0 111.634 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.4 m -70.02 -48.05 59.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 118.875 -0.583 . . . . 0.0 111.096 171.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -56.95 -34.83 68.41 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.144 0.978 . . . . 0.0 112.546 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -71.74 -14.32 61.98 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -116.01 -17.81 10.82 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -156.21 120.2 4.44 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.029 1.331 . . . . 0.0 111.348 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -106.39 6.23 30.22 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.399 1.879 . . . . 0.0 113.93 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -136.63 58.87 21.57 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 126.971 2.108 . . . . 0.0 112.091 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.14 159.55 46.29 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.787 2.325 . . . . 0.0 112.565 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -90.47 159.42 16.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.83 1.652 . . . . 0.0 113.155 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.6 ptp -48.02 -40.55 23.09 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 173.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -90.65 -6.06 55.04 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.6 m -86.32 -35.96 19.56 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.665 1.186 . . . . 0.0 110.832 161.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -64.77 -39.76 94.14 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.566 1.147 . . . . 0.0 112.096 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.71 -26.04 61.44 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 174.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -66.88 -47.77 70.8 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.379 0.991 . . . . 0.0 110.987 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.29 -36.55 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.261 0.624 . . . . 0.0 110.35 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.42 -19.21 63.01 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.47 -52.3 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 120.67 1.577 . . . . 0.0 109.81 164.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -59.19 -40.82 86.92 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.634 0.773 . . . . 0.0 112.254 -174.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 p -94.93 -6.48 42.42 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.007 1.323 . . . . 0.0 113.957 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 57.01 32.94 22.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.798 2.039 . . . . 0.0 115.086 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.21 -171.51 3.47 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.174 2.19 . . . . 0.0 111.175 171.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.4 162.81 12.71 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.308 -0.87 . . . . 0.0 109.411 157.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.74 -46.94 64.21 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.827 0.851 . . . . 0.0 111.88 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.26 90.08 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -61.97 -34.15 75.61 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 120.845 -1.159 . . . . 0.0 112.017 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.6 -45.32 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.083 0.953 . . . . 0.0 110.688 173.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -53.44 -40.35 65.15 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.738 1.215 . . . . 0.0 112.029 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -72.43 -36.0 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 127.12 2.168 . . . . 0.0 112.805 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.3 t90 -65.88 -42.69 90.02 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.552 1.069 . . . . 0.0 111.196 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -62.11 -41.77 98.55 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -73.81 -28.79 61.8 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -76.65 -27.94 55.84 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.515 0.598 . . . . 0.0 112.419 170.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 . . . . . 0 N--CA 1.475 0.809 0 O-C-N 120.904 -1.123 . . . . 0.0 113.331 178.419 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.133 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 92.7 p -123.29 -28.68 3.95 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -175.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -104.58 17.42 24.16 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.029 1.332 . . . . 0.0 112.897 -170.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 50.95 -127.62 2.36 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.18 1.392 . . . . 0.0 110.282 -169.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -133.47 139.02 46.44 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.153 0.981 . . . . 0.0 109.815 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -79.18 -57.75 3.57 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.237 0.615 . . . . 0.0 110.85 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 65.59 138.19 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.26 2.624 . . . . 0.0 114.429 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.514 ' H ' " H4'" ' B' ' 72' ' ' ' DA' 0.272 5.4 p 52.5 -155.96 0.17 Allowed 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.393 2.277 . . . . 0.0 114.813 165.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.439 ' H ' ' HB ' ' A' ' 6' ' ' THR . 59.5 m-70 60.87 33.22 20.02 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 126.22 1.808 . . . . 0.0 115.184 -165.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -67.3 132.71 48.26 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 120.912 -1.118 . . . . 0.0 109.663 160.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -81.57 151.63 27.61 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.394 0.616 . . . . 0.0 110.67 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m -58.41 -29.34 66.01 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.22 -0.925 . . . . 0.0 113.478 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -61.6 -38.0 85.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 118.62 -0.705 . . . . 0.0 112.035 172.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -64.41 -46.23 84.15 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.408 1.004 . . . . 0.0 110.049 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.06 -36.87 78.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.932 0.893 . . . . 0.0 111.797 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -67.66 -19.23 65.17 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 177.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -95.81 -36.55 11.1 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.184 1.356 . . . . 0.0 112.227 167.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 49.5 mt -66.73 -46.21 76.2 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.761 0.825 . . . . 0.0 111.929 -178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -70.02 -39.86 75.57 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 119.078 0.853 . . . . 0.0 112.276 177.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.05 66.78 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.93 0.892 . . . . 0.0 112.289 175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.9 m -87.48 -41.74 13.3 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.74 0.816 . . . . 0.0 111.498 170.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -62.27 -24.04 67.05 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.766 1.227 . . . . 0.0 113.799 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.87 -9.97 59.65 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 173.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt-85 -120.97 -21.94 6.35 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.629 1.572 . . . . 0.0 114.646 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -152.75 105.99 3.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.619 1.567 . . . . 0.0 110.45 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -82.06 -14.6 55.61 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -135.41 61.4 44.04 Favored Pre-proline 0 CA--C 1.553 1.063 0 C-N-CA 124.95 1.3 . . . . 0.0 112.857 -173.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -69.7 139.24 39.94 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.521 2.814 . . . . 0.0 114.297 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -67.43 156.91 35.41 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.026 2.13 . . . . 0.0 112.63 169.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.2 ptp -54.47 -34.52 61.69 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.967 -1.083 . . . . 0.0 113.76 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.2 p -59.1 -27.75 65.86 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.938 1.295 . . . . 0.0 113.205 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.4 m -94.54 -38.25 10.98 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.799 1.639 . . . . 0.0 111.847 173.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -62.76 -31.82 72.85 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.246 -0.909 . . . . 0.0 112.227 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.83 -28.94 63.9 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 171.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -68.27 -46.66 69.81 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.889 1.222 . . . . 0.0 110.743 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -54.91 -37.71 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.95 0.9 . . . . 0.0 110.727 174.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.76 78.92 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.059 0.944 . . . . 0.0 113.482 173.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.7 t -61.53 -45.15 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 120.029 1.286 . . . . 0.0 110.909 172.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -68.84 -16.24 63.72 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -176.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 p -116.04 -10.65 11.53 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.69 1.596 . . . . 0.0 113.874 -175.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.308 2.9 t30 60.68 28.77 18.48 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 127.73 2.412 . . . . 0.0 115.101 -166.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.82 -168.23 2.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.771 1.628 . . . . 0.0 110.589 169.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 p -130.46 159.06 38.2 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.237 2.215 . . . . 0.0 109.753 172.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -54.61 -42.07 70.71 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.7 1.2 . . . . 0.0 113.78 -167.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.32 -33.52 74.84 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.712 -0.618 . . . . 0.0 112.572 178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -65.84 -40.62 91.91 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.062 0.945 . . . . 0.0 110.938 177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.4 t -65.16 -44.89 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 123.701 0.8 . . . . 0.0 110.469 172.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -62.43 -45.79 91.48 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.624 0.77 . . . . 0.0 112.961 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 m -67.73 -33.14 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-O 118.394 -0.812 . . . . 0.0 111.573 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -62.97 -47.18 84.29 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 119.352 0.978 . . . . 0.0 111.166 170.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.38 -45.3 84.62 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -68.55 -35.01 76.84 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.905 1.23 . . . . 0.0 112.254 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -65.42 -34.16 77.64 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.618 1.099 . . . . 0.0 112.313 169.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -42.86 97.64 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 120.374 1.443 . . . . 0.0 112.366 176.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 74.1 mtm-85 -71.09 -42.23 69.58 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.359 174.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.65 88.08 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -92.74 -12.85 30.29 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.065 1.302 . . . . 0.0 113.833 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.1 t90 -55.68 -58.9 5.9 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.382 0.992 . . . . 0.0 109.285 148.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -62.61 -44.76 95.48 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.371 -0.831 . . . . 0.0 113.237 -176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -75.88 7.77 3.67 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.436 1.495 . . . . 0.0 114.574 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -125.87 -30.62 2.98 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.422 1.489 . . . . 0.0 113.349 168.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -132.1 -19.7 2.51 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -170.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 55.56 -48.9 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 130.944 3.697 . . . . 0.0 116.745 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -133.72 -22.1 1.91 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.697 1.599 . . . . 0.0 113.454 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.5 mt -75.13 128.32 36.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 122.072 0.939 . . . . 0.0 111.155 -168.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.21 149.73 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 126.668 1.987 . . . . 0.0 108.778 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 p -114.4 -30.79 6.46 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.334 1.054 . . . . 0.0 112.878 169.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.4 t0 . . . . . 0 C--O 1.248 0.986 0 C-N-CA 127.356 2.262 . . . . 0.0 114.533 174.091 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.954 0 O5'-C5'-C4' 114.344 2.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O5'-C5'-C4' 115.248 3.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.478 1 O4'-C4'-C3' 109.678 4.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.164 0 O4'-C1'-N19 110.166 2.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.807 1 O4'-C1'-N19 111.889 5.112 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . 0.514 " H4'" ' H ' ' A' ' 6' ' ' THR . . . . . . . . 0 C5'--C4' 1.536 3.139 0 O4'-C1'-N19 110.075 2.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.948 1 P-O3'-C3' 124.828 4.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.586 1 O4'-C1'-N19 111.717 4.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.255 0 P-O3'-C3' 123.714 3.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.414 0 O4'-C1'-N19 110.115 2.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.405 1 O4'-C1'-N19 111.409 4.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.817 0 O4'-C1'-N19 110.602 3.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.409 0 O4'-C1'-N19 110.446 3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.684 0 O4'-C1'-N19 110.432 3.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.583 1 O4'-C1'-N19 112.399 5.748 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.557 0 P-O3'-C3' 123.371 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 1 O4'-C1'-N19 111.377 4.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 0 O4'-C1'-N19 110.665 3.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 1 P-O3'-C3' 125.602 4.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.507 1 O4'-C1'-N19 111.506 4.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 C4'-C3'-O3' 119.083 3.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 P-O3'-C3' 126.862 5.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.341 1 O4'-C1'-N19 111.259 4.324 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.11 1 O4'-C1'-N19 111.059 4.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.633 1 P-O3'-C3' 124.983 4.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.426 0 P-O3'-C3' 123.343 3.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.023 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 50.4 m 50.05 38.33 16.41 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.162 1.785 . . . . 0.0 114.09 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -144.46 80.81 1.65 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.622 1.169 . . . . 0.0 111.293 -168.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.7 mtt85 -145.93 165.75 28.04 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.828 1.651 . . . . 0.0 112.312 178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.1 mtp-105 70.28 165.72 0.28 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 160.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -145.43 -175.87 4.89 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 130.48 3.512 . . . . 0.0 107.812 -175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -147.19 149.43 32.93 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 120.596 -1.315 . . . . 0.0 110.555 152.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.8 t -136.96 149.01 47.29 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.924 0.89 . . . . 0.0 110.325 160.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -106.68 94.11 4.94 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.651 1.181 . . . . 0.0 108.593 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -59.81 139.87 56.99 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.541 0.737 . . . . 0.0 112.083 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.4 p -100.66 159.96 14.74 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.35 1.06 . . . . 0.0 112.521 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -56.39 -37.64 70.41 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.66 1.184 . . . . 0.0 113.194 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -68.32 -28.61 67.31 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.481 -0.762 . . . . 0.0 112.834 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -75.07 -44.16 49.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.963 0.905 . . . . 0.0 110.736 171.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.62 -34.34 69.19 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.173 0.989 . . . . 0.0 112.783 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -61.58 -17.08 53.51 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -90.15 -38.3 13.6 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.834 1.652 . . . . 0.0 112.464 165.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.7 mt -69.15 -47.03 66.11 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.981 0.913 . . . . 0.0 112.057 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.45 -38.47 77.81 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.642 -0.661 . . . . 0.0 112.116 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.78 78.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.891 0.876 . . . . 0.0 112.042 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.9 m -68.26 -49.13 62.67 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.077 0.551 . . . . 0.0 110.698 172.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -56.53 -33.27 65.9 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.31 0.959 . . . . 0.0 113.416 177.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -72.01 -5.13 32.84 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -136.13 -15.61 1.71 Allowed 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -158.83 119.54 3.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.495 1.918 . . . . 0.0 111.386 -177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -86.37 -12.45 49.24 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 171.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -131.1 67.47 80.76 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.976 1.31 . . . . 0.0 112.298 -168.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -69.6 132.98 24.73 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.227 2.618 . . . . 0.0 111.566 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -73.81 163.21 28.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.072 1.349 . . . . 0.0 112.734 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -53.13 -33.18 51.23 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 172.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.9 p -75.28 -18.29 60.1 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.777 1.631 . . . . 0.0 113.666 176.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 33.2 m -102.12 -38.75 7.58 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.657 1.583 . . . . 0.0 111.776 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -61.8 -32.04 72.31 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.218 -0.926 . . . . 0.0 111.945 173.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -72.85 -31.51 64.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 117.915 -1.04 . . . . 0.0 113.684 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -65.15 -48.7 72.6 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.043 1.292 . . . . 0.0 110.36 170.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.3 mt -55.21 -40.37 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.74 0.816 . . . . 0.0 110.706 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.18 -30.75 70.79 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.86 -54.58 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 120.202 1.365 . . . . 0.0 110.116 170.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -64.35 -23.56 67.34 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.0 p -108.41 3.01 22.82 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.927 1.691 . . . . 0.0 114.485 -176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 67.1 t30 53.18 40.23 30.92 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.045 1.738 . . . . 0.0 114.36 -173.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.1 -178.01 3.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.466 1.906 . . . . 0.0 111.331 176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.2 p -114.67 158.45 21.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.813 1.245 . . . . 0.0 109.496 153.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -62.67 -30.3 71.29 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.558 -1.339 . . . . 0.0 113.289 -169.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.35 -41.03 68.65 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.947 0.899 . . . . 0.0 112.326 173.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 mmm-85 -71.17 -32.28 68.72 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.654 -0.654 . . . . 0.0 111.904 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.09 -42.68 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 123.353 0.661 . . . . 0.0 110.678 171.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -63.56 -43.84 95.86 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.864 1.265 . . . . 0.0 111.722 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 t -56.49 -47.18 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 125.9 1.68 . . . . 0.0 111.34 170.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 61.3 t90 -62.45 -46.23 89.49 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.783 0.72 . . . . 0.0 111.581 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -63.58 -49.21 74.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.706 0.684 . . . . 0.0 112.682 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -34.03 74.78 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.807 1.185 . . . . 0.0 112.903 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -73.51 -22.85 60.01 Favored 'General case' 0 CA--C 1.543 0.712 0 O-C-N 120.773 -1.204 . . . . 0.0 112.856 170.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -71.08 -20.43 62.35 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.278 -1.514 . . . . 0.0 111.924 166.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -80.22 -40.21 27.57 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.813 1.188 . . . . 0.0 111.521 165.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.48 -45.59 80.85 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.565 0.621 . . . . 0.0 112.236 171.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -50.76 -47.38 59.55 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.943 1.297 . . . . 0.0 111.944 175.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.5 t90 -62.11 -48.63 79.28 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.185 0.994 . . . . 0.0 112.187 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -67.36 -38.99 85.68 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.449 -0.782 . . . . 0.0 112.488 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -73.4 -36.44 66.03 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.625 1.57 . . . . 0.0 113.815 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -93.14 -41.05 10.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.899 1.28 . . . . 0.0 113.831 -173.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -122.4 -13.36 8.06 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -173.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 61.16 -39.45 0.11 Allowed 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 128.444 2.698 . . . . 0.0 116.001 -172.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -148.95 -19.97 0.3 Allowed 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 120.234 1.379 . . . . 0.0 114.34 171.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 73.5 mt -77.57 138.7 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 119.241 0.928 . . . . 0.0 111.368 -172.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.6 p -149.4 136.22 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.256 1.022 . . . . 0.0 111.572 170.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 42.9 p -128.85 107.81 9.94 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.709 1.203 . . . . 0.0 109.412 165.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.479 0.992 0 C-N-CA 125.179 1.391 . . . . 0.0 113.781 -173.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.009 0 O5'-C5'-C4' 114.826 3.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.788 0 O4'-C4'-C3' 108.659 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 1 O4'-C1'-N19 113.469 7.086 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.483 0 O4'-C1'-N19 109.531 2.164 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.425 1 O4'-C1'-N19 111.69 4.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.428 0 O5'-C5'-C4' 115.541 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.465 0 P-O3'-C3' 123.543 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.006 0 O5'-C5'-C4' 115.307 3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.455 0 P-O3'-C3' 124.153 3.711 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 0 O4'-C1'-N19 110.178 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 P-O3'-C3' 123.907 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.367 0 C3'-C2'-C1' 105.903 2.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.36 1 O4'-C1'-N19 111.592 4.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.324 0 O4'-C4'-C3' 108.672 3.072 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 O4'-C1'-N19 112.725 6.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.239 0 O5'-C5'-C4' 114.345 2.961 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.883 0 O5'-C5'-C4' 114.598 3.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.804 0 O4'-C4'-C3' 108.61 3.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 1 P-O3'-C3' 125.439 4.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.085 1 O4'-C1'-N19 111.171 4.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.999 1 O5'-C5'-C4' 115.906 4.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O5'-C5'-C4' 115.29 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 1 O4'-C1'-N19 112.471 5.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 1 P-O3'-C3' 124.61 4.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.824 0 O4'-C1'-N19 110.354 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 1 P-O3'-C3' 124.997 4.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.999 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.6 t -155.13 168.98 25.21 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.12 1.768 . . . . 0.0 111.38 173.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 48.82 35.43 6.51 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.444 1.898 . . . . 0.0 114.203 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -144.13 159.57 42.4 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.392 1.877 . . . . 0.0 111.218 177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -123.85 -171.9 2.42 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.444 1.898 . . . . 0.0 110.088 169.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -138.73 167.93 20.91 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.079 1.352 . . . . 0.0 110.081 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.1 mtp85 -129.25 -165.77 1.56 Allowed 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.009 1.324 . . . . 0.0 111.345 168.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.558 HG22 ' H ' ' A' ' 8' ' ' PHE . 2.6 m -69.56 143.01 53.48 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 116.43 2.011 . . . . 0.0 116.43 -144.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -144.46 37.48 1.23 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 126.273 1.829 . . . . 0.0 112.026 161.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.558 ' H ' HG22 ' A' ' 6' ' ' THR . 21.4 m-85 -85.43 99.49 11.23 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 120.544 -1.348 . . . . 0.0 109.291 173.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.5 p -82.51 163.91 21.24 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.213 1.005 . . . . 0.0 111.404 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.3 m -66.11 -17.51 64.76 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.918 -1.114 . . . . 0.0 113.286 177.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -70.07 -35.14 74.01 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.934 -1.104 . . . . 0.0 111.049 168.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -80.56 -48.49 12.64 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.631 0.773 . . . . 0.0 111.6 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.3 mt -60.5 -36.72 79.03 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.398 1.079 . . . . 0.0 112.694 -171.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -66.39 -24.46 66.48 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -77.73 -40.43 41.17 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.525 1.057 . . . . 0.0 110.656 170.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.5 mt -71.48 -48.92 46.12 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.918 1.687 . . . . 0.0 112.862 -175.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.9 -39.01 83.67 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.109 0.868 . . . . 0.0 112.626 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.71 -34.13 77.49 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.893 -0.504 . . . . 0.0 111.048 175.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.2 m -66.08 -45.81 79.93 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 122.737 0.415 . . . . 0.0 111.126 169.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -58.72 -36.84 74.93 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.203 0.911 . . . . 0.0 112.579 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.2 mm100 -70.58 -8.89 54.96 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -115.29 -23.66 8.81 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 172.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -156.64 113.55 3.1 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.008 1.723 . . . . 0.0 110.382 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.5 mtm-85 -78.38 -9.5 59.3 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -134.5 54.05 10.89 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.098 1.359 . . . . 0.0 113.622 -164.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -62.08 134.86 51.61 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.962 2.441 . . . . 0.0 113.091 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.69 165.45 25.04 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.65 1.58 . . . . 0.0 112.872 176.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -51.13 -33.13 25.31 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.433 1.642 . . . . 0.0 115.433 178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -77.29 -31.95 55.11 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.58 0.752 . . . . 0.0 112.368 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.4 m -76.56 -40.34 50.07 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.313 -0.867 . . . . 0.0 111.371 171.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 mtm-85 -63.46 -32.84 74.4 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.06 -1.025 . . . . 0.0 112.293 177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.89 -29.03 50.02 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 173.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -64.89 -44.69 88.79 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.512 1.505 . . . . 0.0 111.515 170.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 82.8 mt -55.7 -39.4 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.41 0.684 . . . . 0.0 110.25 172.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.24 -22.25 62.92 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 175.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 79.3 t -76.87 -38.48 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 120.472 1.487 . . . . 0.0 111.14 169.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -69.3 -43.9 72.88 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.098 0.863 . . . . 0.0 112.108 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -88.2 -6.89 57.58 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 64.6 t30 53.74 37.6 26.6 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.803 1.241 . . . . 0.0 113.644 -170.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -102.09 -154.19 0.48 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.214 1.806 . . . . 0.0 110.194 174.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.47 149.37 45.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.622 1.569 . . . . 0.0 110.99 174.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -50.23 -47.36 54.99 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.605 1.562 . . . . 0.0 114.857 -168.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.66 -27.4 65.96 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 119.593 1.088 . . . . 0.0 112.386 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -65.24 -38.27 89.84 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 120.967 -1.083 . . . . 0.0 111.025 171.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.4 t -67.73 -39.24 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 123.713 0.805 . . . . 0.0 110.794 171.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -58.13 -48.25 80.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.984 1.314 . . . . 0.0 111.83 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 24.3 m -74.87 -23.53 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -65.18 -51.16 62.79 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.302 0.956 . . . . 0.0 110.461 167.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.71 -41.08 98.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 118.532 -0.747 . . . . 0.0 112.745 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -61.96 -42.33 99.0 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 119.556 1.071 . . . . 0.0 112.623 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -75.71 -26.62 57.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.454 0.57 . . . . 0.0 112.395 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -45.41 90.07 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.643 0.656 . . . . 0.0 112.098 169.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 65.8 mtm-85 -67.26 -42.47 83.85 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.372 0.669 . . . . 0.0 111.881 174.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.01 -16.84 63.82 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -56.41 -38.19 71.19 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 120.243 1.383 . . . . 0.0 112.047 175.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -51.78 -39.05 57.97 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.731 1.612 . . . . 0.0 112.556 170.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.5 mmm-85 -87.43 -38.28 16.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.933 1.293 . . . . 0.0 112.782 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -89.46 -18.46 26.69 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -116.31 -20.43 9.76 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.447 1.499 . . . . 0.0 113.459 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -133.05 -0.14 3.4 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 -176.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 58.13 -49.86 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 128.772 2.829 . . . . 0.0 116.231 -172.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -160.44 -3.61 0.06 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.316 2.247 . . . . 0.0 113.07 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 60.8 mt -75.42 129.33 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 O-C-N 121.136 -0.978 . . . . 0.0 110.546 -172.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.8 p -159.6 152.29 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 126.307 1.843 . . . . 0.0 109.526 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.7 p -69.52 135.46 50.13 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.2 0.909 . . . . 0.0 110.974 174.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.0 p30 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 125.141 1.377 . . . . 0.0 114.67 -178.384 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.292 0 O4'-C4'-C3' 108.273 2.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 P-O3'-C3' 124.222 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C4'-C3' 107.966 2.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.426 0 N19-C1'-C2' 118.61 2.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.304 1 O4'-C1'-N19 111.58 4.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.809 1 O5'-C5'-C4' 115.82 4.015 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.409 1 O5'-C5'-C4' 117.388 5.134 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.896 0 P-O3'-C3' 124.496 3.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 1 P-O3'-C3' 124.644 4.12 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.225 1 O4'-C1'-N19 111.135 4.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.166 0 C3'-C2'-C1' 106.133 2.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.621 1 P-O3'-C3' 125.041 4.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.339 1 O4'-C1'-N19 111.106 4.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 0 O4'-C1'-N19 109.547 2.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.027 1 O4'-C1'-N19 112.741 6.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.637 0 P-O3'-C3' 123.065 2.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.751 0 O4'-C1'-N19 110.191 2.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.937 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.333 0 P-O3'-C3' 124.089 3.657 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.886 0 O5'-C5'-C4' 114.46 3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 P-O3'-C3' 122.961 2.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.364 0 O5'-C5'-C4' 115.336 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O5'-C5'-C4' 114.989 3.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.008 0 O5'-C5'-C4' 114.026 2.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.611 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.155 2.943 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.379 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.1 m -131.02 -4.6 3.95 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.077 1.751 . . . . 0.0 114.611 -174.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . 0.261 16.8 tp60 52.04 39.84 27.2 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.803 2.441 . . . . 0.0 116.442 173.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -132.11 157.16 44.94 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.505 1.922 . . . . 0.0 111.591 171.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -113.91 144.73 42.57 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 124.494 1.118 . . . . 0.0 112.236 174.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -52.42 -59.94 3.82 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.371 0.669 . . . . 0.0 111.043 174.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.359 61.7 mtp85 57.24 169.58 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 130.395 3.478 . . . . 0.0 116.969 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -47.25 131.08 13.2 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 127.183 2.193 . . . . 0.0 114.473 -146.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -147.33 58.51 1.15 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.771 0.829 . . . . 0.0 110.425 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -129.34 158.4 39.21 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -162.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.0 p -140.3 160.4 40.06 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.843 1.657 . . . . 0.0 112.075 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -55.33 -35.77 65.52 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.64 -0.662 . . . . 0.0 112.426 174.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -62.21 -30.55 71.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.434 0.694 . . . . 0.0 112.843 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -82.23 -47.38 12.51 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.827 0.851 . . . . 0.0 111.378 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.54 -28.46 69.18 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.285 1.034 . . . . 0.0 113.423 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -49.43 -39.48 33.07 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.031 1.732 . . . . 0.0 113.311 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -82.29 -25.95 33.53 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.951 0.796 . . . . 0.0 112.665 -178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -75.34 -45.94 36.33 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.085 0.954 . . . . 0.0 110.996 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -65.42 -39.46 92.15 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.772 0.714 . . . . 0.0 112.255 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.82 -32.74 74.35 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 175.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 45.1 m -76.58 -44.72 33.42 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.472 0.709 . . . . 0.0 111.129 174.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -56.74 -35.89 69.11 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.251 1.02 . . . . 0.0 112.866 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -61.93 -16.27 49.58 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -123.82 -30.51 3.54 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -147.22 118.71 7.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.824 1.25 . . . . 0.0 110.279 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -93.95 -6.52 45.29 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.32 1.048 . . . . 0.0 113.223 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -131.06 63.13 69.25 Favored Pre-proline 0 CA--C 1.553 1.072 0 C-N-CA 125.054 1.341 . . . . 0.0 113.49 177.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -71.68 133.56 22.35 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 123.541 2.827 . . . . 0.0 112.947 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.41 152.49 29.56 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.025 1.33 . . . . 0.0 112.832 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.5 ptp -47.02 -37.65 9.61 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.022 1.329 . . . . 0.0 114.137 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 t -69.74 -35.02 74.63 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.19 0.596 . . . . 0.0 111.896 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m -74.56 -36.72 63.08 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.057 0.943 . . . . 0.0 111.519 171.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -61.25 -37.61 83.7 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 118.519 -0.753 . . . . 0.0 112.076 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -73.8 -30.83 62.95 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.54 -45.06 92.29 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.517 1.508 . . . . 0.0 110.946 170.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.8 mt -57.29 -36.56 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.443 -0.786 . . . . 0.0 111.042 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.98 -19.21 61.26 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.5 t -73.73 -42.36 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 CA-C-N 120.347 1.43 . . . . 0.0 110.027 166.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 m95 -65.14 -45.31 85.57 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.236 0.614 . . . . 0.0 111.652 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.0 p -98.99 0.71 44.45 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -172.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 58.07 43.85 20.27 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.396 1.479 . . . . 0.0 113.263 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mp -105.63 -158.15 0.65 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.167 2.187 . . . . 0.0 110.367 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.9 p -129.47 168.06 16.9 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.919 1.287 . . . . 0.0 109.414 157.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -49.94 -45.91 51.68 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.615 -0.678 . . . . 0.0 112.268 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.04 99.55 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.487 0.715 . . . . 0.0 112.045 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -62.42 -36.75 83.35 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.248 -0.908 . . . . 0.0 112.737 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.65 -44.45 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.003 0.521 . . . . 0.0 110.382 172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -56.07 -47.75 77.39 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.598 1.159 . . . . 0.0 112.237 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.37 -36.68 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-O 118.892 -0.575 . . . . 0.0 112.105 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -60.67 -38.19 84.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.819 0.736 . . . . 0.0 112.058 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -71.11 -47.27 59.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 118.284 -0.865 . . . . 0.0 113.216 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -64.74 -35.8 82.22 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 120.68 1.582 . . . . 0.0 112.124 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -65.98 -24.35 66.76 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.543 -0.723 . . . . 0.0 112.804 170.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -32.44 72.43 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-N 119.859 1.209 . . . . 0.0 113.658 178.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -83.01 -38.99 21.87 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.29 -31.17 65.36 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.816 -0.553 . . . . 0.0 111.916 173.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -43.26 -52.74 5.56 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.446 2.298 . . . . 0.0 113.79 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -70.55 -31.26 68.23 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 118.783 0.719 . . . . 0.0 111.308 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -70.5 -29.45 65.96 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.409 -0.807 . . . . 0.0 112.655 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -68.35 -42.05 79.79 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.663 1.185 . . . . 0.0 112.881 172.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -96.3 -36.67 10.81 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -172.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -131.43 -1.18 3.95 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -165.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 58.6 -45.69 0.06 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 129.897 3.279 . . . . 0.0 117.327 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -139.98 -9.87 1.16 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -176.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.2 mt -86.7 104.25 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 120.857 -1.152 . . . . 0.0 109.79 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.8 -20.48 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 C-N-CA 125.263 1.425 . . . . 0.0 114.407 -173.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.8 m 65.42 -34.31 0.18 Allowed 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 128.78 2.832 . . . . 0.0 117.129 166.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.253 1.263 0 CA-C-N 120.881 1.673 . . . . 0.0 112.533 173.735 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.263 0 O5'-C5'-C4' 114.452 3.037 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 1 P-O3'-C3' 124.938 4.365 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C4'-C3' 108.651 3.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.364 0 O4'-C4'-C3' 108.344 2.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.195 4.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.87 0 P-O3'-C3' 123.167 2.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.449 0 P-O3'-C3' 123.995 3.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.088 1 O4'-C1'-N19 112.817 6.271 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.86 0 O5'-C5'-C4' 114.873 3.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 P-O3'-C3' 123.639 3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.467 0 O4'-C1'-N19 110.89 3.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C4'-C3' 108.997 3.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.18 1 O4'-C1'-N19 112.713 6.142 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.196 1 O4'-C1'-N19 112.417 5.771 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.356 1 O4'-C1'-N19 112.444 5.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.058 0 P-O3'-C3' 123.411 3.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.271 1 O4'-C1'-N19 112.278 5.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.13 0 O4'-C1'-C2' 103.208 -2.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.788 1 P-O3'-C3' 127.403 6.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.951 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.434 0 P-O3'-C3' 123.614 3.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.779 0 P-O3'-C3' 124.048 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.458 0 O4'-C4'-C3' 107.738 2.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.451 0 O4'-C1'-N19 110.369 3.212 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.263 1 P-O3'-C3' 125.111 4.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 112.885 6.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 68.9 m -133.37 144.44 49.59 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.721 1.208 . . . . 0.0 110.306 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -89.68 112.86 24.24 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.924 0.89 . . . . 0.0 109.358 -174.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -123.24 -44.07 2.17 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.826 2.05 . . . . 0.0 112.739 -171.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -81.51 159.66 24.12 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.8 1.64 . . . . 0.0 112.101 -166.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -146.5 174.35 11.48 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.722 1.609 . . . . 0.0 110.0 -169.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -125.68 -164.82 1.34 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.838 1.255 . . . . 0.0 110.581 163.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.453 HG22 ' H ' ' A' ' 8' ' ' PHE . 6.9 m -35.48 126.71 0.63 Allowed 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 117.598 2.444 . . . . 0.0 117.598 -156.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -130.22 40.47 3.53 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.596 1.558 . . . . 0.0 111.408 167.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.453 ' H ' HG22 ' A' ' 6' ' ' THR . 14.0 m-85 -123.21 134.27 54.15 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.561 1.544 . . . . 0.0 111.887 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.5 p -97.23 160.15 14.5 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.491 1.117 . . . . 0.0 111.506 173.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.9 m -61.52 -36.17 79.78 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.511 -1.368 . . . . 0.0 112.566 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -60.64 -29.03 69.01 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.481 -0.762 . . . . 0.0 112.456 172.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -78.21 -47.82 17.18 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.097 0.862 . . . . 0.0 110.95 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.53 -41.68 86.03 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.132 0.973 . . . . 0.0 112.496 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -61.03 -30.43 70.31 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -86.73 -29.34 22.46 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.556 1.071 . . . . 0.0 112.359 174.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.84 -45.05 75.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.643 0.777 . . . . 0.0 111.341 176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -68.49 -37.83 80.47 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.319 -0.863 . . . . 0.0 112.888 174.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.23 -20.02 66.24 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.874 0.87 . . . . 0.0 112.58 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -84.2 -49.45 8.81 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.572 1.149 . . . . 0.0 111.19 168.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -58.87 -36.32 74.42 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.286 -0.884 . . . . 0.0 112.823 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.61 -4.84 16.9 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 176.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -118.47 -24.26 6.88 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 167.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -151.9 113.66 4.41 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.295 1.038 . . . . 0.0 112.313 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -80.73 -11.16 59.66 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.7 1.2 . . . . 0.0 114.082 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -143.34 56.39 4.59 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.384 1.474 . . . . 0.0 114.272 -169.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -61.23 141.98 94.91 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.176 2.584 . . . . 0.0 112.991 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -63.46 154.7 31.42 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.901 1.28 . . . . 0.0 112.374 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 23.1 ptm -49.53 -40.2 37.13 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.141 0.976 . . . . 0.0 113.129 173.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -74.14 -17.47 60.92 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.5 m -92.9 -39.72 11.0 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.091 1.756 . . . . 0.0 111.545 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -57.74 -35.12 70.28 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.048 0.939 . . . . 0.0 112.136 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -74.9 -18.03 60.48 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.96 -44.1 27.8 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 120.575 1.534 . . . . 0.0 110.984 169.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.9 mt -56.08 -33.94 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.193 0.997 . . . . 0.0 110.681 173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.33 -20.37 66.07 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.68 -53.56 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 CA-C-N 120.462 1.483 . . . . 0.0 110.614 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -61.94 -38.55 88.87 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.899 0.879 . . . . 0.0 111.137 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -86.76 -8.47 57.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.971 1.709 . . . . 0.0 114.218 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 56.4 t30 59.95 24.84 13.97 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 125.219 1.407 . . . . 0.0 114.17 -173.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.74 -173.64 4.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.074 1.75 . . . . 0.0 111.931 171.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.0 m -124.73 151.93 44.43 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.377 2.271 . . . . 0.0 107.801 165.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -47.54 -45.5 26.84 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 120.338 1.426 . . . . 0.0 114.658 -172.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.43 72.38 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -65.71 -40.29 92.07 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.192 0.997 . . . . 0.0 111.022 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.45 -41.85 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 123.79 0.836 . . . . 0.0 110.296 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -59.96 -45.16 93.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.821 1.248 . . . . 0.0 112.499 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.6 t -60.0 -49.03 85.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.214 1.006 . . . . 0.0 110.698 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -61.88 -39.04 90.53 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.98 -44.51 65.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.015 0.926 . . . . 0.0 112.815 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -65.56 -33.56 76.2 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.959 1.254 . . . . 0.0 112.08 176.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -68.66 -36.77 78.99 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.289 0.95 . . . . 0.0 113.258 170.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -36.62 76.95 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.621 1.1 . . . . 0.0 112.198 173.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -74.71 -46.0 40.57 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.224 1.009 . . . . 0.0 111.717 172.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.4 -30.11 62.34 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.641 -1.287 . . . . 0.0 113.712 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 tptm -50.03 -43.01 50.65 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.198 1.799 . . . . 0.0 112.924 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.54 -34.18 77.65 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.233 0.924 . . . . 0.0 111.879 -177.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.2 mtp85 -70.75 -42.07 70.97 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.757 -0.589 . . . . 0.0 111.763 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -65.96 -24.57 66.82 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.675 1.19 . . . . 0.0 112.592 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -90.18 -46.67 8.29 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.581 1.552 . . . . 0.0 114.117 176.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -134.78 9.12 3.59 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -165.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 62.55 -55.59 0.15 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.211 2.204 . . . . 0.0 114.837 -165.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -137.32 -21.83 1.17 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -173.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.0 mt -72.03 118.55 17.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 119.514 1.052 . . . . 0.0 110.772 -168.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 p -156.32 148.53 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 125.493 1.517 . . . . 0.0 111.283 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.17 149.77 51.72 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.76 1.224 . . . . 0.0 111.319 169.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 127.889 2.476 . . . . 0.0 113.179 -173.806 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.008 0 O4'-C1'-N19 109.81 2.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.981 1 O4'-C4'-C3' 109.636 4.036 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.846 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.693 0 O5'-C5'-C4' 114.94 3.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.692 0 N19-C1'-C2' 119.351 3.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.016 0 P-O3'-C3' 123.179 2.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.758 0 O5'-C5'-C4' 113.638 2.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.332 1 O4'-C1'-N19 111.15 4.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.898 0 P-O3'-C3' 124.481 3.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 0 O4'-C4'-C3' 108.807 3.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.188 1 O4'-C1'-N19 111.381 4.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.652 0 O5'-C5'-C4' 114.198 2.856 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 1 O4'-C1'-N19 113.315 6.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.576 2 O4'-C1'-N19 113.474 7.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.948 1 O4'-C1'-N19 111.995 5.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.461 0 P-O3'-C3' 123.462 3.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.957 2 O4'-C1'-N19 112.427 5.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.909 0 O4'-C4'-C3' 109.029 3.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.28 1 P-O3'-C3' 126.401 5.584 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.892 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.315 0 O4'-C1'-N19 110.525 3.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.332 0 O4'-C4'-C3' 109.014 3.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.743 1 O4'-C1'-N19 112.715 6.144 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.379 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 0 P-O3'-C3' 123.899 3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.412 0 O5'-C5'-C4' 114.892 3.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.012 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.1 t -137.23 144.69 42.91 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.357 1.063 . . . . 0.0 112.594 -174.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -131.39 144.19 51.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.766 1.626 . . . . 0.0 110.697 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.7 mtm105 -75.82 127.51 33.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.577 0.751 . . . . 0.0 110.299 170.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -74.58 164.71 26.27 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.191 0.905 . . . . 0.0 111.734 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -83.1 -25.67 31.77 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 -174.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.6 ttt180 32.5 96.2 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 129.41 3.084 . . . . 0.0 115.098 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -90.86 -178.83 5.34 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.687 1.195 . . . . 0.0 113.66 168.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.4 p-80 -135.74 148.88 48.99 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.535 2.334 . . . . 0.0 109.431 166.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -114.12 133.69 55.4 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.706 0.802 . . . . 0.0 113.115 -168.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.0 p -76.59 155.55 33.47 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.201 0.524 . . . . 0.0 111.476 173.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 m -60.25 -30.08 69.2 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.405 -0.809 . . . . 0.0 112.583 172.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -67.95 -42.34 81.11 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.273 1.397 . . . . 0.0 112.766 171.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -58.13 -42.95 86.92 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.05 1.295 . . . . 0.0 110.307 173.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.77 -34.85 78.73 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.828 0.851 . . . . 0.0 113.125 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -70.63 -10.1 58.55 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -93.9 -38.19 11.33 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.847 1.203 . . . . 0.0 111.602 163.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.2 mt -69.49 -51.14 38.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.062 1.345 . . . . 0.0 112.45 -177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -70.54 -37.62 74.1 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.53 1.132 . . . . 0.0 111.984 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.04 79.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.345 0.658 . . . . 0.0 111.601 175.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.7 m -71.47 -47.02 58.27 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.803 -0.561 . . . . 0.0 111.293 170.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -56.47 -36.91 69.62 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.03 0.932 . . . . 0.0 112.903 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.35 -0.85 13.45 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.2 ptt85 -130.72 -18.6 3.07 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 170.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -149.37 90.15 1.7 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.439 1.896 . . . . 0.0 109.197 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -72.44 -18.2 61.72 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.826 1.251 . . . . 0.0 113.237 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -130.01 66.37 77.56 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 126.15 1.78 . . . . 0.0 111.269 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -71.34 175.39 9.41 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.59 2.86 . . . . 0.0 113.85 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -105.87 157.25 17.61 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.106 1.762 . . . . 0.0 113.445 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 pmm? -54.89 -30.75 58.92 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.027 1.492 . . . . 0.0 115.027 -176.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -79.19 -39.18 34.0 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.752 0.705 . . . . 0.0 111.258 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 56.2 m -64.57 -40.15 95.03 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.846 -1.159 . . . . 0.0 111.788 169.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -64.63 -36.35 83.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.092 -0.956 . . . . 0.0 112.339 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.68 -30.23 61.5 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.088 1.313 . . . . 0.0 113.826 174.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -66.76 -46.01 76.74 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.844 1.202 . . . . 0.0 110.901 173.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.99 -31.83 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.606 -0.684 . . . . 0.0 111.166 173.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.93 -32.94 74.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 118.475 -0.774 . . . . 0.0 112.985 173.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.1 t -64.45 -48.27 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 119.908 1.231 . . . . 0.0 110.295 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -65.87 -26.8 67.8 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -174.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.3 p -109.39 -2.48 17.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.862 1.665 . . . . 0.0 114.275 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 16.9 t30 55.93 41.35 30.02 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.902 1.681 . . . . 0.0 114.336 -172.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mp -101.88 -169.3 1.66 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.519 1.927 . . . . 0.0 109.929 171.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.9 p -117.65 162.9 17.29 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.736 1.214 . . . . 0.0 110.423 158.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -47.64 -46.25 28.64 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.918 0.887 . . . . 0.0 112.7 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.12 80.96 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.467 0.707 . . . . 0.0 111.809 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -66.78 -35.09 79.28 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 120.982 -1.074 . . . . 0.0 112.911 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.8 t -65.86 -42.08 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.754 0.706 . . . . 0.0 110.864 172.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -62.61 -43.39 98.93 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.279 1.032 . . . . 0.0 111.902 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.18 -44.27 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 125.269 1.428 . . . . 0.0 111.149 173.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -60.57 -45.3 94.43 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.455 0.57 . . . . 0.0 111.905 174.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.78 -44.89 95.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.786 0.721 . . . . 0.0 112.473 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -67.62 -36.23 80.42 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.127 0.876 . . . . 0.0 112.428 175.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -68.86 -36.74 78.5 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 119.593 1.088 . . . . 0.0 113.46 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -66.42 -37.01 84.24 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 120.326 1.421 . . . . 0.0 111.736 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 mtm-85 -70.82 -40.95 72.15 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.175 0.898 . . . . 0.0 112.304 170.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.86 -18.0 65.17 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.41 -0.806 . . . . 0.0 113.07 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.82 -41.22 63.98 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.507 1.123 . . . . 0.0 111.43 175.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.31 -31.28 68.54 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -79.77 -32.93 40.99 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.649 -1.282 . . . . 0.0 111.947 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -75.83 -43.19 47.14 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.926 1.29 . . . . 0.0 112.456 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -77.63 -9.02 58.73 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 125.884 1.673 . . . . 0.0 113.791 166.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.6 mt-10 68.72 112.85 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.106 2.962 . . . . 0.0 115.913 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -85.84 -44.9 12.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.837 0.855 . . . . 0.0 111.072 161.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -145.13 -13.5 0.53 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 115.61 1.707 . . . . 0.0 115.61 -177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.73 137.16 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 120.296 1.407 . . . . 0.0 108.954 164.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.0 p -149.06 153.84 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.493 -0.754 . . . . 0.0 113.009 -173.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 t -145.76 178.78 7.9 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.205 2.202 . . . . 0.0 110.966 172.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 125.027 1.331 . . . . 0.0 113.601 -177.28 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.547 4.503 1 O5'-C5'-C4' 116.025 4.161 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.414 1 P-O3'-C3' 124.776 4.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.049 2.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O5'-C5'-C4' 115.384 3.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.261 0 O5'-C5'-C4' 114.683 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.345 0 O5'-C5'-C4' 115.207 3.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.913 0 O5'-C5'-C4' 114.805 3.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.385 2 O4'-C1'-N19 111.622 4.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.74 1 O4'-C1'-N19 111.968 5.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.824 1 O4'-C1'-N19 111.321 4.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.059 0 O4'-C1'-N19 110.558 3.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.755 1 P-O3'-C3' 125.575 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.855 1 O4'-C1'-N19 111.241 4.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 O4'-C1'-N19 109.687 2.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.245 1 O4'-C1'-N19 112.451 5.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.242 0 O5'-C5'-C4' 114.463 3.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C4'-C3' 107.577 1.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.309 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 1 P-O3'-C3' 124.822 4.268 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.054 1 O4'-C1'-N19 111.257 4.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.301 0 O4'-C4'-C3' 108.659 3.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 0 O4'-C1'-N19 110.207 3.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . 0.419 " H1'" ' C8 ' ' C' ' 90' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.386 1 O4'-C1'-N19 112.574 5.968 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . 0.419 ' C8 ' " H1'" ' C' ' 89' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C4'-C3' 108.202 2.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.425 0 O4'-C4'-C3' 108.71 3.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.757 0 P-O3'-C3' 123.117 2.847 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.1 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 94.2 p -161.17 164.9 30.22 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.128 0.964 . . . . 0.0 113.356 -173.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 58.5 50.64 8.98 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.542 1.537 . . . . 0.0 113.286 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -73.73 138.2 44.49 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.293 -0.879 . . . . 0.0 112.097 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 67.4 mtt-85 -90.97 157.9 17.03 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.83 1.252 . . . . 0.0 112.458 171.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . 0.382 0.2 OUTLIER 54.97 150.85 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 119.405 3.113 . . . . 0.0 119.405 162.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.306 12.4 mtt-85 67.46 174.36 0.26 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.968 2.107 . . . . 0.0 115.507 -178.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 p -82.61 146.04 29.36 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 116.702 2.112 . . . . 0.0 116.702 -118.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.545 ' CG ' HH12 ' A' ' 44' ' ' ARG . 18.1 m-70 -103.61 25.29 9.91 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.975 2.11 . . . . 0.0 112.782 166.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -127.79 149.67 50.15 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -161.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.7 p -114.73 164.31 14.25 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.819 2.047 . . . . 0.0 111.424 166.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.3 m -56.14 -38.61 71.08 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.382 -0.824 . . . . 0.0 111.808 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -58.19 -35.69 71.99 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.667 1.187 . . . . 0.0 113.076 175.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -76.44 -43.5 39.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.62 0.768 . . . . 0.0 111.202 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.19 -32.96 72.71 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -63.25 -22.74 67.06 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -91.43 -32.91 15.45 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 120.34 1.427 . . . . 0.0 112.356 170.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.34 -49.65 68.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.309 1.043 . . . . 0.0 111.101 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -70.94 -34.15 71.19 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.467 -0.771 . . . . 0.0 112.936 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.42 75.93 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.561 -0.712 . . . . 0.0 112.274 173.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.2 m -71.15 -41.03 70.94 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.158 0.583 . . . . 0.0 110.971 170.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -65.91 -24.46 66.84 Favored 'General case' 0 CA--C 1.547 0.865 0 O-C-N 121.178 -0.951 . . . . 0.0 113.32 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -72.19 -0.35 11.78 Favored 'General case' 0 CA--C 1.554 1.104 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 166.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 ptp85 -137.18 -20.41 1.23 Allowed 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -156.4 126.15 6.34 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.402 1.881 . . . . 0.0 110.261 178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -89.94 -15.72 31.43 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.561 1.144 . . . . 0.0 113.862 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -133.07 61.61 56.79 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 124.751 1.221 . . . . 0.0 113.101 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -61.22 141.16 92.38 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.085 2.523 . . . . 0.0 112.527 177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -92.95 168.65 11.01 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.328 1.451 . . . . 0.0 111.329 -177.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.8 ptm -53.31 -26.88 20.32 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 -174.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 t -85.14 -31.49 23.26 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.43 1.092 . . . . 0.0 112.631 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -47.35 62.51 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.831 -1.168 . . . . 0.0 110.974 172.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -64.94 -32.09 73.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.239 1.415 . . . . 0.0 112.529 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -74.74 -29.78 61.28 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -71.79 -41.4 68.34 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.702 1.137 . . . . 0.0 110.834 174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.8 mt -55.14 -36.36 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.828 -0.545 . . . . 0.0 110.14 169.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.35 -17.84 61.24 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 173.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t -74.06 -53.12 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 120.452 1.478 . . . . 0.0 109.241 163.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -66.5 -38.03 86.34 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 p -89.32 -4.16 58.21 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.041 1.336 . . . . 0.0 114.527 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.2 t30 56.38 54.07 8.02 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.816 1.646 . . . . 0.0 113.464 -172.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mp -114.69 -165.93 1.06 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 127.778 2.431 . . . . 0.0 111.078 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 p -112.3 161.2 16.89 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.39 -0.819 . . . . 0.0 110.122 152.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -52.31 -43.26 64.42 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.883 0.873 . . . . 0.0 112.416 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.76 79.22 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.747 0.819 . . . . 0.0 112.78 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.545 HH12 ' CG ' ' A' ' 7' ' ' HIS . 45.4 mmm-85 -69.02 -34.75 75.76 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.734 -1.229 . . . . 0.0 112.553 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.7 t -64.18 -43.59 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 118.533 0.606 . . . . 0.0 110.303 171.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -58.11 -46.93 84.73 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.627 1.171 . . . . 0.0 112.188 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.2 t -59.6 -43.31 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.172 1.389 . . . . 0.0 111.738 176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -63.13 -47.47 82.62 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.835 0.743 . . . . 0.0 111.848 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.13 -44.91 94.55 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.104 0.562 . . . . 0.0 112.272 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -68.67 -40.85 79.96 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.24 0.927 . . . . 0.0 112.864 176.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.0 -24.37 66.02 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.965 1.257 . . . . 0.0 113.37 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -79.27 -46.81 17.05 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.91 1.284 . . . . 0.0 112.201 170.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -61.26 -37.3 82.62 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.683 1.129 . . . . 0.0 112.261 174.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.11 -32.08 65.95 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -175.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -50.45 -42.68 54.55 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.156 1.344 . . . . 0.0 112.263 171.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 17.0 t-105 -63.95 -13.84 49.09 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.965 1.706 . . . . 0.0 113.59 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -113.34 -33.8 5.82 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.911 1.685 . . . . 0.0 112.835 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -66.79 -28.85 68.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.464 1.505 . . . . 0.0 112.465 172.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -91.14 -8.0 49.96 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.091 1.756 . . . . 0.0 113.926 169.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 56.54 112.18 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.363 3.065 . . . . 0.0 116.384 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -107.55 -23.63 12.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.943 1.297 . . . . 0.0 111.525 156.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -66.82 -15.35 63.54 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 177.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.3 mm 20.61 107.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 130.987 3.715 . . . . 0.0 115.267 168.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.65 135.03 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.434 0.694 . . . . 0.0 110.235 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 p -122.19 -12.58 8.27 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.281 1.432 . . . . 0.0 113.895 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--O 1.249 1.071 0 C-N-CA 126.993 2.117 . . . . 0.0 112.153 167.703 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.508 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.262 0 P-O3'-C3' 124.129 3.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.284 1 O4'-C1'-N19 111.446 4.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.539 0 P-O3'-C3' 122.56 2.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 112.31 5.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.174 0 O4'-C1'-N19 110.601 3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.675 0 O5'-C5'-C4' 114.963 3.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.152 1 O4'-C1'-N19 113.351 6.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.856 0 O5'-C5'-C4' 115.019 3.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.471 0 O5'-C5'-C4' 114.885 3.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.742 0 P-O3'-C3' 123.873 3.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.772 0 P-O3'-C3' 123.948 3.54 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.416 1 O4'-C1'-N19 111.488 4.609 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.243 0 O4'-C4'-C3' 107.648 2.048 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.736 1 O4'-C1'-N19 112.983 6.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.303 0 P-O3'-C3' 122.883 2.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 1 O4'-C1'-N19 112.871 6.338 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 0 P-O3'-C3' 124.424 3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 109.927 2.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.887 0 O4'-C1'-N19 110.804 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.817 0 O4'-C1'-N19 109.724 2.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.973 1 O4'-C1'-N19 113.32 6.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.499 2 O5'-C5'-C4' 116.249 4.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 P-O3'-C3' 124.743 4.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.31 0 O4'-C4'-C3' 109.111 3.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.644 0 O4'-C1'-N19 110.948 3.936 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.09 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.5 m -55.92 142.4 35.71 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.055 0.942 . . . . 0.0 112.591 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -79.91 132.09 35.99 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.855 0.862 . . . . 0.0 111.717 -172.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -80.28 149.97 30.16 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 118.759 -0.639 . . . . 0.0 110.812 172.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -128.82 152.9 47.97 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.475 0.916 . . . . 0.0 113.475 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -83.38 162.79 20.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.307 1.043 . . . . 0.0 110.294 159.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.5 mtp-105 -135.93 158.26 44.84 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.785 1.234 . . . . 0.0 111.078 164.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.5 m 58.41 38.77 25.69 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.001 1.721 . . . . 0.0 112.513 164.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -84.67 59.08 5.29 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.363 -0.836 . . . . 0.0 112.046 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -132.75 143.17 49.41 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.355 1.862 . . . . 0.0 110.042 175.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.8 p -103.47 161.88 13.5 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.027 1.331 . . . . 0.0 111.907 173.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -56.92 -32.1 65.6 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 121.028 -1.045 . . . . 0.0 112.599 171.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -66.09 -38.86 89.32 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.827 0.851 . . . . 0.0 111.825 175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -75.71 -41.38 53.7 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.459 0.704 . . . . 0.0 111.285 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.71 -35.78 75.22 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.993 0.917 . . . . 0.0 111.976 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -66.66 -2.44 4.9 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 175.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -111.31 -29.05 7.97 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 120.014 1.279 . . . . 0.0 112.979 162.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.7 mt -66.92 -49.37 65.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.076 0.95 . . . . 0.0 111.468 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.55 -35.37 73.08 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.032 -1.042 . . . . 0.0 112.232 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.77 -18.26 62.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 171.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.4 m -87.56 -45.76 10.16 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.792 0.837 . . . . 0.0 111.324 166.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -58.23 -25.79 62.1 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -68.39 -21.36 64.7 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 171.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -123.29 -18.55 6.24 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -155.85 132.74 10.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.956 1.302 . . . . 0.0 110.56 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 64.2 mtp85 -107.61 -10.78 15.59 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.913 1.685 . . . . 0.0 113.016 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -135.01 51.81 6.48 Favored Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.8 1.64 . . . . 0.0 112.62 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.58 142.69 72.21 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.651 2.901 . . . . 0.0 113.888 -171.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.53 157.83 36.39 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.712 1.605 . . . . 0.0 113.229 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 15.7 ptp -44.67 -40.16 5.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.512 1.125 . . . . 0.0 113.98 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.4 p -66.16 -36.08 82.15 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.579 1.152 . . . . 0.0 113.02 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.5 m -76.96 -42.64 38.31 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.625 1.57 . . . . 0.0 110.741 174.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 -65.72 -37.3 86.03 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.458 -0.782 . . . . 0.0 112.465 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.76 -32.43 70.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.349 0.977 . . . . 0.0 112.953 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -73.71 -41.66 62.29 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.611 1.096 . . . . 0.0 112.222 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.4 mt -57.54 -39.28 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.271 -0.893 . . . . 0.0 110.353 170.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.46 -36.32 83.54 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 118.241 -0.885 . . . . 0.0 113.044 172.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.12 -49.01 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 CA-C-N 120.276 1.398 . . . . 0.0 110.832 171.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -64.24 -44.92 90.33 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.72 0.691 . . . . 0.0 111.824 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p -88.53 -6.23 57.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 54.78 33.81 20.47 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.118 1.767 . . . . 0.0 114.175 -169.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.8 mp -84.96 -173.73 4.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.84 1.656 . . . . 0.0 110.06 163.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.0 p -114.51 164.87 13.39 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.947 1.299 . . . . 0.0 110.284 160.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -53.63 -43.13 68.48 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.957 0.903 . . . . 0.0 111.968 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.35 -46.97 82.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.821 0.848 . . . . 0.0 112.195 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -62.91 -36.76 84.43 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 121.177 -0.952 . . . . 0.0 112.341 178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -65.85 -45.29 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 123.158 0.583 . . . . 0.0 110.704 172.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -58.99 -44.83 91.67 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.318 1.047 . . . . 0.0 111.999 178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.51 -44.04 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.767 1.227 . . . . 0.0 111.866 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -60.27 -43.17 96.43 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.699 0.681 . . . . 0.0 111.443 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -64.72 -47.53 77.94 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -62.89 -39.52 94.72 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 120.133 1.333 . . . . 0.0 112.297 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -68.05 -35.84 78.89 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.359 0.982 . . . . 0.0 112.744 176.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -35.42 81.1 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.607 1.094 . . . . 0.0 113.281 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.6 mtm-85 -75.84 -43.51 45.53 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.139 0.976 . . . . 0.0 111.379 171.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.04 -0.18 5.41 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -51.64 -34.5 38.1 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.7 -1.25 . . . . 0.0 112.042 170.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -29.05 67.27 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.125 1.37 . . . . 0.0 113.807 172.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -93.08 -40.02 10.75 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.742 1.217 . . . . 0.0 112.79 173.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -92.35 -12.51 32.17 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -123.93 -31.36 3.41 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.393 1.477 . . . . 0.0 112.497 174.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.36 -0.75 18.89 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.476 1.288 . . . . 0.0 114.476 -176.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 58.88 -47.91 0.06 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.999 2.92 . . . . 0.0 115.96 -172.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -146.38 -14.08 0.45 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.9 mt -86.95 142.58 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.792 1.178 . . . . 0.0 111.234 -172.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.9 p -67.8 131.71 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.973 0.909 . . . . 0.0 113.36 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -89.88 145.82 24.86 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.536 1.534 . . . . 0.0 111.522 170.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--O 1.254 1.293 0 C-N-CA 124.832 1.253 . . . . 0.0 114.039 -175.287 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.71 0 O4'-C1'-N19 110.637 3.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.422 2 O5'-C5'-C4' 118.159 5.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.244 0 P-O3'-C3' 123.249 2.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.924 1 O4'-C1'-N19 111.043 4.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.15 1 O4'-C1'-N19 112.389 5.736 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 P-O3'-C3' 122.969 2.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.417 1 O5'-C5'-C4' 116.2 4.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.405 1 O4'-C1'-N19 112.07 5.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.975 0 P-O3'-C3' 124.096 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.274 0 O4'-C1'-N19 110.275 3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.498 2 O4'-C1'-N19 112.189 5.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.958 0 P-O3'-C3' 124.103 3.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.729 1 O4'-C1'-N19 111.726 4.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.326 1 O4'-C1'-N19 111.185 4.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.314 1 O4'-C1'-N19 112.569 5.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.633 0 P-O3'-C3' 123.682 3.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.704 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.527 1 O4'-C1'-N19 111.246 4.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 P-O3'-C3' 124.043 3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.591 0 O4'-C1'-N19 110.738 3.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.402 0 O4'-C4'-C3' 108.485 2.885 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 1 O4'-C4'-C3' 109.735 4.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.487 0 O4'-C4'-C3' 108.918 3.318 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.869 1 O4'-C1'-N19 111.25 4.312 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 0 P-O3'-C3' 124.244 3.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.094 0 O5'-C5'-C4' 115.143 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.041 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 19.3 m -78.3 140.03 38.83 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 118.271 1.035 . . . . 0.0 111.698 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -84.7 59.77 5.72 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 112.049 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 -41.99 140.32 1.1 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 128.203 2.601 . . . . 0.0 113.076 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 66.0 mtt85 -124.62 148.34 47.96 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.096 1.358 . . . . 0.0 113.115 -173.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -62.27 -58.08 9.04 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 177.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 56.56 110.95 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.464 2.706 . . . . 0.0 114.768 -171.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.0 t -85.09 157.17 20.78 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 121.321 -0.862 . . . . 0.0 112.958 175.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -102.87 149.59 24.36 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 126.483 1.913 . . . . 0.0 111.513 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -125.15 132.04 53.14 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.222 1.009 . . . . 0.0 112.358 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -78.15 157.19 29.51 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.282 0.633 . . . . 0.0 110.442 165.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 m -63.25 -31.73 72.96 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.873 -1.142 . . . . 0.0 112.082 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -60.79 -32.23 71.57 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.611 1.165 . . . . 0.0 113.047 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -73.7 -48.95 28.3 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.342 0.974 . . . . 0.0 110.85 172.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.6 mt -61.29 -36.89 81.31 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -26.17 67.47 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -175.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -83.34 -28.38 29.06 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.224 1.009 . . . . 0.0 112.636 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.42 -44.41 44.67 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.381 1.072 . . . . 0.0 110.822 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -63.86 -41.66 97.73 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.21 0.459 . . . . 0.0 111.769 171.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.42 -30.15 71.02 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.491 0.716 . . . . 0.0 112.536 176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.0 m -72.68 -53.86 10.58 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.242 0.617 . . . . 0.0 110.578 170.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -55.49 -38.38 69.07 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.101 0.864 . . . . 0.0 112.348 -176.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.94 -16.98 62.11 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.128 1.371 . . . . 0.0 114.685 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ptm85 -110.98 -23.95 10.65 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.758 1.223 . . . . 0.0 113.756 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -155.46 104.69 2.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.042 1.737 . . . . 0.0 110.193 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -75.24 -8.01 55.45 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.323 1.049 . . . . 0.0 113.756 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -138.02 58.31 15.24 Favored Pre-proline 0 CA--C 1.545 0.757 0 C-N-CA 125.671 1.589 . . . . 0.0 112.834 -167.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -66.36 131.47 26.58 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.393 2.062 . . . . 0.0 111.175 177.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -77.87 167.43 21.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.09 1.356 . . . . 0.0 111.437 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.2 ptp -51.47 -42.34 61.55 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.9 p -58.62 -39.53 80.74 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.665 1.986 . . . . 0.0 112.931 175.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.8 m -79.3 -43.6 23.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 126.507 1.923 . . . . 0.0 111.753 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -64.53 -41.06 96.61 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.85 0.86 . . . . 0.0 111.688 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -71.47 -31.54 67.27 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-O 118.46 -0.781 . . . . 0.0 112.779 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -62.98 -49.15 75.83 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 119.578 1.081 . . . . 0.0 112.2 167.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.91 -38.85 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.141 -0.974 . . . . 0.0 110.545 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.12 -31.07 71.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.017 0.927 . . . . 0.0 113.183 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.1 t -67.43 -44.5 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 119.867 1.212 . . . . 0.0 111.332 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -65.25 -42.56 93.17 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.179 0.9 . . . . 0.0 112.635 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.2 p -95.82 -3.56 45.37 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.67 1.588 . . . . 0.0 114.468 -173.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . 0.274 16.5 t-20 54.61 37.34 27.91 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 127.294 2.238 . . . . 0.0 114.659 -170.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -85.55 -163.88 0.93 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.393 1.877 . . . . 0.0 110.962 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.8 p -120.03 161.75 20.41 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.645 1.178 . . . . 0.0 111.079 160.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.78 -28.44 34.84 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.38 1.872 . . . . 0.0 112.984 171.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.0 -39.4 30.09 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 169.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.45 -34.81 69.36 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.559 1.527 . . . . 0.0 111.838 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.19 -47.61 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 118.491 0.587 . . . . 0.0 111.14 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -56.59 -49.72 74.05 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.695 0.798 . . . . 0.0 111.67 175.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.14 -41.84 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.233 1.013 . . . . 0.0 111.323 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -62.88 -36.99 85.15 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.568 -0.707 . . . . 0.0 112.438 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -68.06 -51.15 49.98 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.561 1.144 . . . . 0.0 112.351 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -35.91 82.56 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.838 1.199 . . . . 0.0 113.12 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -68.4 -14.52 63.06 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 121.223 -0.923 . . . . 0.0 112.916 172.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.37 -34.78 18.68 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 124.863 1.265 . . . . 0.0 113.474 168.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 63.3 mtp85 -56.54 -40.43 75.1 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.181 0.901 . . . . 0.0 111.456 167.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.49 -47.34 79.49 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.702 0.801 . . . . 0.0 112.195 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -62.24 -27.93 69.34 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -67.91 -62.64 1.31 Allowed 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.42 1.009 . . . . 0.0 110.13 168.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -67.35 -10.47 51.3 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -176.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -88.71 -0.34 57.2 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.252 1.421 . . . . 0.0 114.468 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -133.24 -14.1 2.65 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 162.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.49 76.59 1.51 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.186 1.394 . . . . 0.0 113.482 167.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -66.58 2.42 1.32 Allowed 'General case' 0 N--CA 1.486 1.367 0 O-C-N 119.864 -1.772 . . . . 0.0 113.319 160.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -124.9 7.45 8.05 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.775 2.43 . . . . 0.0 114.542 -172.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.7 mt -124.85 139.02 52.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.211 1.004 . . . . 0.0 109.829 173.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -76.68 140.2 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 125.72 1.608 . . . . 0.0 112.027 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 t -108.09 152.11 24.96 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.025 0.93 . . . . 0.0 110.265 164.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 C--O 1.254 1.308 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -173.748 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.606 1 O4'-C1'-N19 111.051 4.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.89 0 O4'-C1'-N19 110.439 3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.844 1 O4'-C1'-N19 111.009 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.152 0 O4'-C4'-C3' 107.993 2.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.305 1 O4'-C1'-N19 112.436 5.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.44 1 O5'-C5'-C4' 116.013 4.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C4'-C3' 109.312 3.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.534 0 P-O3'-C3' 124.15 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.57 0 O4'-C4'-C3' 108.491 2.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.852 0 O5'-C5'-C4' 114.458 3.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.728 1 O4'-C1'-N19 112.6 6.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.164 0 P-O3'-C3' 123.467 3.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 1 O4'-C1'-N19 112.197 5.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.675 0 O4'-C1'-N19 110.815 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.273 1 O4'-C1'-N19 113.893 7.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.639 0 P-O3'-C3' 123.118 2.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.937 0 P-O3'-C3' 122.892 2.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.257 0 O4'-C1'-N19 110.949 3.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C4'-C3' 108.411 2.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.993 1 O4'-C1'-N19 113.34 6.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 P-O3'-C3' 123.768 3.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.1 1 O4'-C1'-N19 111.377 4.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 0 O4'-C4'-C3' 108.904 3.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.723 2 O4'-C1'-N19 113.104 6.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 0 P-O3'-C3' 124.101 3.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.819 0 O4'-C1'-N19 110.574 3.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.081 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 18.7 m -137.03 155.31 49.84 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -142.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -63.1 156.41 25.04 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.015 2.126 . . . . 0.0 111.598 170.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.1 ptp180 -63.81 161.76 14.76 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.841 0.856 . . . . 0.0 112.838 174.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -129.8 162.31 28.76 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.902 1.281 . . . . 0.0 113.344 -179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -126.59 178.92 5.59 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 127.187 2.195 . . . . 0.0 108.358 168.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.0 mtp-105 -130.27 135.56 48.24 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.119 0.485 . . . . 0.0 111.435 146.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m 67.36 49.82 1.01 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 128.357 2.663 . . . . 0.0 113.901 164.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.1 t60 -73.48 -14.13 61.18 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -90.34 166.27 13.4 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.237 1.015 . . . . 0.0 113.727 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 p -119.38 158.03 26.99 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.371 1.468 . . . . 0.0 112.755 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.4 m -62.07 -37.33 84.62 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.029 -1.044 . . . . 0.0 112.856 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -65.07 -33.03 75.07 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.584 1.154 . . . . 0.0 112.611 177.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -67.21 -50.52 60.55 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.728 0.694 . . . . 0.0 109.942 169.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 mp -63.68 -19.77 65.18 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -57.79 -28.52 64.08 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.596 1.089 . . . . 0.0 113.387 173.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -82.51 -35.79 27.01 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.893 1.224 . . . . 0.0 112.233 171.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 mp -69.85 -42.26 73.8 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.568 0.747 . . . . 0.0 111.222 -177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.8 -39.93 79.83 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.521 0.729 . . . . 0.0 112.614 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.37 89.62 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.837 0.455 . . . . 0.0 111.361 172.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.5 m -66.32 -40.81 90.16 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.63 -0.669 . . . . 0.0 111.418 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.06 -19.54 65.29 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.858 -1.151 . . . . 0.0 113.745 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.7 -10.08 59.13 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 171.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -130.03 -26.85 2.34 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -147.1 101.24 3.39 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.436 1.495 . . . . 0.0 110.114 174.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -80.54 -9.24 59.78 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.103 1.761 . . . . 0.0 112.94 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -132.26 62.47 63.5 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.798 1.639 . . . . 0.0 111.482 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -67.77 142.5 58.04 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 123.028 2.486 . . . . 0.0 113.227 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -88.91 164.55 15.11 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.297 2.239 . . . . 0.0 111.912 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.5 ptp -53.39 -38.49 63.45 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -170.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.3 p -67.53 -21.93 65.44 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 127.044 2.137 . . . . 0.0 114.401 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.7 m -98.39 -37.98 9.4 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.509 1.524 . . . . 0.0 111.056 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.414 HH22 ' P ' ' C' ' 81' ' ' ' DG' . 76.9 mtm-85 -63.35 -35.01 78.98 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.267 -0.895 . . . . 0.0 112.041 174.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -73.74 -29.87 62.48 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 175.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -67.19 -47.13 71.83 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.058 1.299 . . . . 0.0 111.03 173.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.12 -34.96 62.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.406 0.682 . . . . 0.0 110.994 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.92 96.18 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 172.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.6 -43.38 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 O-C-N 121.417 -0.802 . . . . 0.0 111.393 176.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -63.88 -32.92 74.61 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.308 0.643 . . . . 0.0 112.446 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -97.1 -8.96 28.96 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -173.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 48.5 t30 64.81 46.04 3.13 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.167 1.387 . . . . 0.0 113.038 -168.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.01 -172.29 2.55 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.808 2.043 . . . . 0.0 111.044 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.94 148.26 47.04 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.316 2.246 . . . . 0.0 110.803 175.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -56.95 -41.64 78.65 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.797 1.239 . . . . 0.0 113.799 -167.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.66 -30.19 71.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.934 0.894 . . . . 0.0 112.67 -177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmm-85 -71.4 -41.43 69.62 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.215 0.606 . . . . 0.0 111.927 172.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.5 t -60.89 -44.83 98.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.57 0.748 . . . . 0.0 110.066 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -54.98 -43.92 73.96 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.695 1.198 . . . . 0.0 112.386 174.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 37.4 t -72.3 -37.52 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-O 117.949 -1.024 . . . . 0.0 112.653 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -60.9 -42.0 97.17 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.514 1.507 . . . . 0.0 111.602 170.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.8 -42.14 86.46 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -68.59 -36.22 78.41 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.796 1.18 . . . . 0.0 112.172 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.42 ' HA ' ' HB3' ' A' ' 54' ' ' ALA . 3.8 t-20 -70.52 -32.7 70.26 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.472 1.033 . . . . 0.0 112.285 175.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -32.94 70.01 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.135 1.374 . . . . 0.0 113.069 171.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 69.0 mtm-85 -87.69 -30.7 20.18 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.721 1.209 . . . . 0.0 111.778 173.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 51' ' ' ASN . . . -60.96 -25.3 66.72 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -50.77 -58.62 5.47 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.337 0.972 . . . . 0.0 111.865 176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -65.56 -36.35 83.53 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 119.263 0.938 . . . . 0.0 112.399 -171.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 -67.23 -35.6 79.91 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.569 -1.332 . . . . 0.0 113.014 171.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -74.83 3.52 7.97 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 168.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -123.54 -28.34 3.92 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 125.349 1.459 . . . . 0.0 114.745 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -137.7 7.44 2.76 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.471 1.508 . . . . 0.0 113.896 -169.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 59.86 -41.69 0.09 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.952 2.901 . . . . 0.0 115.528 -162.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -150.97 -16.06 0.22 Allowed 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.0 mt -71.88 130.71 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 120.069 1.304 . . . . 0.0 111.286 -168.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 p -93.74 152.62 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -166.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.2 p -76.47 -7.7 55.66 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 127.181 2.192 . . . . 0.0 115.576 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 C--O 1.25 1.129 0 C-N-CA 126.784 2.034 . . . . 0.0 114.084 -173.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.786 0 O4'-C1'-N19 110.498 3.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.353 0 O4'-C1'-N19 110.063 2.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.499 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.958 0 O4'-C1'-N19 110.741 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.312 1 O4'-C1'-N19 111.753 4.941 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.603 0 O5'-C5'-C4' 113.416 2.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 P-O3'-C3' 124.118 3.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.234 3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.384 0 O4'-C4'-C3' 109.515 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.143 0 P-O3'-C3' 123.171 2.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.812 0 P-O3'-C3' 123.614 3.262 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 O4'-C1'-N19 110.887 3.859 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.736 0 O4'-C1'-N19 110.169 2.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . 0.414 ' P ' HH22 ' A' ' 31' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.864 5.08 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.76 0 P-O3'-C3' 123.532 3.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.866 0 O4'-C4'-C3' 108.799 3.199 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.727 0 P-O3'-C3' 123.563 3.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.764 0 O5'-C5'-C4' 115.662 3.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.7 1 P-O3'-C3' 125.214 4.595 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.445 1 O4'-C1'-N19 111.306 4.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C4'-C3' 109.131 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.405 1 O4'-C1'-N19 112.082 5.353 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.452 0 O4'-C4'-C3' 109.085 3.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.443 0 O5'-C5'-C4' 115.786 3.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.555 0 P-O3'-C3' 123.559 3.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.982 0 CA-C-O 121.38 0.433 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 45.4 m -122.48 158.65 29.34 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.752 2.021 . . . . 0.0 113.111 -173.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -90.38 139.08 31.02 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.504 1.522 . . . . 0.0 111.349 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -115.69 162.14 17.68 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.92 1.288 . . . . 0.0 113.459 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -115.79 145.64 42.65 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.098 1.759 . . . . 0.0 111.601 177.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -77.95 -60.43 2.37 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -168.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.45 ' H ' " C5'" ' B' ' 73' ' ' ' DA' 0.338 5.1 mtp85 60.68 174.55 0.1 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 128.399 2.68 . . . . 0.0 115.06 -171.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.5 m -41.02 133.04 2.29 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 127.993 2.517 . . . . 0.0 116.859 -145.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -140.42 35.88 1.86 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.937 1.295 . . . . 0.0 111.988 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -107.48 93.48 4.57 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.961 1.304 . . . . 0.0 111.169 -170.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 p -84.38 165.96 17.77 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.249 1.02 . . . . 0.0 111.661 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.3 p -58.23 -18.24 24.95 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 169.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -77.79 -38.51 46.49 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.775 1.171 . . . . 0.0 111.922 169.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -75.87 -44.78 39.0 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.188 0.595 . . . . 0.0 111.575 -177.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.93 -32.72 73.16 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.037 0.935 . . . . 0.0 113.474 -171.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.48 -23.93 67.61 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 -171.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -85.67 -31.12 22.69 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.847 1.203 . . . . 0.0 112.509 171.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -77.16 -44.94 28.41 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.45 -0.781 . . . . 0.0 111.343 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.39 -43.59 85.42 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.708 0.685 . . . . 0.0 111.847 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.49 -34.54 75.65 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.539 -0.726 . . . . 0.0 112.215 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.3 m -67.06 -44.74 79.34 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.52 0.728 . . . . 0.0 110.894 171.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -62.71 -18.27 62.2 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.503 1.047 . . . . 0.0 113.587 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -76.68 -26.29 54.6 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 120.479 -1.388 . . . . 0.0 112.314 170.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -115.11 -20.0 10.62 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -172.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -156.13 118.13 4.0 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.358 1.463 . . . . 0.0 110.434 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -71.56 -21.87 61.82 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.078 0.951 . . . . 0.0 113.279 177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -138.12 74.91 41.96 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.375 1.47 . . . . 0.0 111.274 -169.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -65.52 149.82 87.33 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.542 2.828 . . . . 0.0 113.008 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -79.14 168.06 20.14 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.586 1.154 . . . . 0.0 112.321 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 17.3 ptp -62.19 -25.09 67.59 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 120.464 -1.398 . . . . 0.0 113.135 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 61.9 p -73.26 -43.4 61.17 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.632 1.573 . . . . 0.0 112.445 170.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 m -62.88 -45.51 92.2 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.179 0.992 . . . . 0.0 111.433 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.0 mtm-85 -72.1 -35.96 69.34 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.43 1.092 . . . . 0.0 112.429 -175.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -70.21 -35.42 73.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.556 1.071 . . . . 0.0 112.371 172.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -70.62 -42.29 71.12 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.439 1.018 . . . . 0.0 111.873 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.7 mt -55.76 -39.32 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 121.333 -0.855 . . . . 0.0 110.741 169.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.06 -15.57 61.5 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.9 t -77.13 -49.84 22.01 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 CA-C-N 120.339 1.427 . . . . 0.0 109.764 164.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -62.76 -27.58 69.38 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.8 p -106.28 -10.95 16.18 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.951 1.7 . . . . 0.0 114.35 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.3 t30 54.7 28.06 9.57 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -165.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.5 mt -75.21 -161.72 0.16 Allowed 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.957 -1.089 . . . . 0.0 110.124 162.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p -127.6 153.57 46.25 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.87 -1.144 . . . . 0.0 110.103 165.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -52.42 -43.13 64.65 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.465 1.106 . . . . 0.0 113.184 -174.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.79 83.07 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.833 -0.542 . . . . 0.0 112.14 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -65.94 -22.75 66.51 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.262 -0.899 . . . . 0.0 113.084 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -69.99 -41.21 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.133 0.878 . . . . 0.0 110.609 172.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -62.46 -43.34 99.06 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.047 0.84 . . . . 0.0 111.976 172.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 85.8 t -57.38 -43.86 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.211 1.004 . . . . 0.0 111.366 173.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -66.03 -47.12 75.44 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.464 -0.773 . . . . 0.0 111.913 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -65.49 -42.82 91.75 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.781 0.719 . . . . 0.0 112.689 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.7 ptmt -68.75 -40.01 80.03 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 119.248 0.931 . . . . 0.0 112.251 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -66.72 -32.59 73.99 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.489 -0.767 . . . . 0.0 112.092 173.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.71 -39.25 80.26 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 119.81 1.186 . . . . 0.0 113.344 176.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ptm85 -78.15 -32.72 50.44 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 171.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.43 -27.24 68.97 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.9 mmmm -50.19 -37.85 37.07 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 119.368 0.986 . . . . 0.0 113.33 174.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -59.4 -56.85 16.84 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.217 1.007 . . . . 0.0 111.081 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -69.91 -26.71 64.28 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.323 -0.861 . . . . 0.0 112.474 -177.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -76.67 -12.94 60.08 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 172.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -102.11 -36.32 8.6 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 125.022 1.329 . . . . 0.0 112.981 173.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -133.09 -6.28 3.05 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -168.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 58.53 -40.67 0.06 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.828 2.851 . . . . 0.0 116.442 -171.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -146.82 -30.78 0.35 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.186 1.394 . . . . 0.0 114.633 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 59.2 mt -63.99 127.73 25.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 120.631 1.56 . . . . 0.0 110.616 -172.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.1 p -130.78 137.67 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.894 1.278 . . . . 0.0 112.884 -171.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -144.73 115.05 7.56 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.624 1.57 . . . . 0.0 110.188 165.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . 0.277 35.6 t70 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 128.531 2.732 . . . . 0.0 114.967 -159.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.901 0 O5'-C5'-C4' 114.654 3.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 0 O4'-C1'-N19 110.75 3.688 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.973 1 O4'-C1'-N19 111.125 4.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.604 0 O5'-C5'-C4' 114.319 2.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.676 1 O4'-C1'-N19 111.575 4.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.631 0 O5'-C5'-C4' 114.888 3.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . 0.45 " C5'" ' H ' ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.413 -2.977 2 O5'-C5'-C4' 118.438 5.884 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.135 2 O4'-C1'-N19 111.481 4.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.786 0 O4'-C4'-C3' 108.52 2.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.814 0 O4'-C1'-N19 109.595 2.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.261 1 O4'-C1'-N19 112.268 5.586 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 0 P-O3'-C3' 123.006 2.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 1 O4'-C1'-N19 111.325 4.406 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.35 0 O5'-C5'-C4' 113.307 2.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.218 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.004 0 O5'-C5'-C4' 113.966 2.69 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 1 O4'-C1'-N19 112.101 5.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C4'-C3' 108.423 2.823 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.191 1 O5'-C5'-C4' 116.508 4.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.734 0 P-O3'-C3' 123.237 2.948 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 0 P-O3'-C3' 123.224 2.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O5'-C5'-C4' 115.628 3.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 0 O5'-C5'-C4' 114.532 3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 1 P-O3'-C3' 124.707 4.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.201 0 P-O3'-C3' 123.061 2.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 P-O3'-C3' 123.604 3.253 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.111 0 N-CA-C 111.849 -0.501 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.0 p -120.54 20.72 11.77 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.043 1.737 . . . . 0.0 113.137 173.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -122.59 163.12 20.58 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.767 2.427 . . . . 0.0 112.082 -178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.6 ptt180 -104.61 158.83 16.23 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 174.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -62.78 158.98 17.39 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.467 1.107 . . . . 0.0 112.385 171.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -140.26 -175.95 4.44 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.307 2.243 . . . . 0.0 107.903 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.14 -172.63 3.18 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.79 1.236 . . . . 0.0 111.367 174.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 m -61.1 128.31 35.78 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -161.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -128.2 9.62 6.22 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.531 1.533 . . . . 0.0 112.851 163.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -67.82 150.97 47.93 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.208 1.003 . . . . 0.0 112.618 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 p -120.23 161.31 21.31 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.489 1.516 . . . . 0.0 112.228 174.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.7 m -60.88 -32.93 72.37 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 120.995 -1.066 . . . . 0.0 112.493 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 tp60 -69.94 -35.77 74.77 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.101 0.96 . . . . 0.0 112.709 176.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -68.65 -46.27 69.6 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.072 0.851 . . . . 0.0 110.668 172.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.22 -30.12 69.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.814 0.846 . . . . 0.0 112.57 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -60.7 -38.0 83.56 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.32 -37.75 60.61 Favored 'General case' 0 N--CA 1.483 1.22 0 CA-C-N 121.142 1.792 . . . . 0.0 111.495 175.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.57 -43.24 94.49 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.015 0.926 . . . . 0.0 111.312 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.31 -22.14 30.76 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.266 1.209 . . . . 0.0 114.266 -178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.53 -37.21 74.05 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 118.408 0.549 . . . . 0.0 111.6 163.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.8 m -65.46 -51.47 59.93 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 121.772 -0.58 . . . . 0.0 110.23 171.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -57.31 -35.57 70.0 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.223 1.009 . . . . 0.0 113.623 -175.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -25.2 67.21 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.209 -0.932 . . . . 0.0 113.216 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -106.37 -33.86 7.62 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.407 1.483 . . . . 0.0 114.514 176.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -140.14 105.9 5.15 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.076 1.751 . . . . 0.0 110.965 -178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.2 mtm-85 -73.72 -15.29 61.22 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CE1' " H3'" ' C' ' 82' ' ' ' DG' . 28.6 m-85 -135.27 71.0 68.09 Favored Pre-proline 0 CA--C 1.547 0.838 0 CA-C-N 119.116 0.871 . . . . 0.0 112.476 -165.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.94 155.24 69.14 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.188 2.592 . . . . 0.0 113.069 176.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -88.95 159.69 17.51 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.689 1.995 . . . . 0.0 112.221 172.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -49.4 -41.6 39.98 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 t -71.6 -16.65 62.3 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.472 1.109 . . . . 0.0 112.652 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 79.8 m -95.56 -36.0 11.44 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.414 1.486 . . . . 0.0 111.688 170.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.5 mtm-85 -64.48 -36.58 84.64 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.875 -1.14 . . . . 0.0 112.271 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -70.76 -27.14 63.71 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.248 0.931 . . . . 0.0 113.477 174.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -72.36 -47.7 47.44 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.933 0.893 . . . . 0.0 110.593 173.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.3 mt -57.89 -35.72 52.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.865 0.866 . . . . 0.0 110.791 172.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.65 95.19 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.755 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.46 -45.95 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.361 1.437 . . . . 0.0 110.909 171.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -63.27 -28.61 70.14 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -177.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.8 p -108.01 -0.26 21.38 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.998 1.319 . . . . 0.0 113.406 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 54.7 t30 58.68 20.82 8.15 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.538 1.935 . . . . 0.0 115.358 -170.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mp -75.97 -168.03 0.83 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.027 1.731 . . . . 0.0 111.213 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 p -130.79 155.87 45.96 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.129 2.172 . . . . 0.0 109.019 164.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -53.37 -40.75 65.21 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -166.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.28 93.3 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.991 0.814 . . . . 0.0 112.275 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -63.51 -38.33 90.71 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.163 -0.961 . . . . 0.0 111.287 178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.8 t -66.02 -47.33 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 123.437 0.695 . . . . 0.0 110.534 173.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -57.12 -41.24 78.66 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.071 0.948 . . . . 0.0 112.228 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.2 t -68.89 -36.74 75.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.493 1.517 . . . . 0.0 112.619 174.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.2 t90 -61.81 -41.49 97.83 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.922 0.783 . . . . 0.0 111.946 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -68.26 -46.18 71.12 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.628 -0.701 . . . . 0.0 112.762 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -11.55 60.46 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 120.296 1.407 . . . . 0.0 114.751 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -87.6 -26.45 23.07 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 167.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -37.28 85.08 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.878 1.217 . . . . 0.0 112.867 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 ptm85 -64.22 -39.29 93.66 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 165.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.54 -25.26 67.9 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -59.39 -34.56 72.59 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 120.033 1.288 . . . . 0.0 113.032 171.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 22.0 t90 -75.27 -16.8 60.42 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.813 1.245 . . . . 0.0 112.965 174.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 31.1 mmm-85 -90.34 -59.13 2.27 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.592 -1.318 . . . . 0.0 110.775 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.44 -26.8 68.12 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.583 1.553 . . . . 0.0 113.933 -172.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.2 ttt-85 -98.59 -33.76 10.85 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 175.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -121.77 -13.44 8.29 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -165.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 48.84 44.05 21.74 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 120.743 1.61 . . . . 0.0 112.524 -168.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . 0.411 1.5 p90 60.8 16.63 6.95 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 117.311 2.337 . . . . 0.0 117.311 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.02 148.14 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.217 0 O-C-N 119.919 -1.738 . . . . 0.0 110.445 169.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.6 m -106.15 24.42 2.41 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 C-N-CA 125.358 1.463 . . . . 0.0 114.611 -169.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.24 -22.41 66.32 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -175.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 N--CA 1.485 1.314 0 C-N-CA 125.376 1.47 . . . . 0.0 114.313 175.383 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 0 O4'-C4'-C3' 108.407 2.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.387 0 P-O3'-C3' 123.852 3.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 0 P-O3'-C3' 124.117 3.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 0 O4'-C4'-C3' 108.531 2.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.189 1 O4'-C1'-N19 111.654 4.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.88 0 O5'-C5'-C4' 115.346 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.202 1 O5'-C5'-C4' 116.573 4.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.361 0 P-O3'-C3' 123.695 3.329 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 P-O3'-C3' 123.525 3.188 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.649 0 O4'-C1'-N19 109.972 2.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.447 0 O4'-C4'-C3' 108.586 2.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.821 1 O4'-C1'-N19 112.87 6.337 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.412 1 O4'-C1'-N19 112.996 6.495 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.405 1 O4'-C1'-N19 114.374 8.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . 0.422 " H3'" ' CE1' ' A' ' 25' ' ' TYR . . . . . . . . 0 C5'--C4' 1.541 3.709 0 P-O3'-C3' 123.245 2.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 P-O3'-C3' 123.5 3.166 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.172 0 O4'-C1'-N19 110.845 3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.495 2 P-O3'-C3' 125.054 4.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.296 0 O5'-C5'-C4' 114.296 2.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.823 0 P-O3'-C3' 124.013 3.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.627 0 P-O3'-C3' 124.066 3.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.172 0 O4'-C1'-N19 110.719 3.649 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.409 1 O4'-C1'-N19 113.535 7.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.503 0 P-O3'-C3' 123.969 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.712 1 O4'-C1'-N19 111.129 4.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.933 0 N-CA-C 111.299 -0.721 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 14.8 m 59.05 27.95 17.06 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.538 1.935 . . . . 0.0 114.852 -173.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -108.23 143.59 36.84 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.414 1.086 . . . . 0.0 108.965 162.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.254 22.7 ptt85 -77.72 161.29 27.84 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 120.72 -1.238 . . . . 0.0 113.256 -170.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -60.63 159.75 10.24 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.271 1.428 . . . . 0.0 112.743 -174.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -146.96 175.15 10.89 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.153 1.781 . . . . 0.0 109.495 -176.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -148.79 75.26 1.3 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.084 0.856 . . . . 0.0 112.711 -177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 t -71.69 172.22 10.12 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -126.09 118.93 26.31 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.498 1.919 . . . . 0.0 108.643 167.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -82.64 140.61 33.07 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -165.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.8 151.59 31.88 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -173.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 64.3 m -62.04 -29.51 70.34 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.142 -0.974 . . . . 0.0 112.764 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -62.2 -23.61 66.73 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.608 1.163 . . . . 0.0 112.973 172.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -88.15 -44.26 11.04 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.748 0.819 . . . . 0.0 111.32 168.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.02 -33.3 70.57 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.757 0.823 . . . . 0.0 113.125 -176.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -64.62 -9.52 20.06 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 175.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -110.43 -36.05 5.88 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.523 1.056 . . . . 0.0 113.094 160.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.18 -53.0 42.81 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.722 1.146 . . . . 0.0 112.339 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -71.77 -36.87 70.5 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.16 0.891 . . . . 0.0 111.478 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.74 68.98 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -81.46 -45.81 15.47 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.185 0.994 . . . . 0.0 111.121 168.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -57.82 -32.97 68.11 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.107 0.867 . . . . 0.0 112.696 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.34 -26.14 68.28 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 173.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -108.97 -22.09 12.33 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -155.57 123.79 5.84 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.684 1.194 . . . . 0.0 110.187 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HB2' ' CE1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -94.29 -7.18 42.67 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 179.763 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 24' ' ' ARG . 11.2 m-85 -137.78 46.79 1.42 Allowed Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 124.939 1.296 . . . . 0.0 113.679 -171.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -60.32 149.75 84.08 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 124.186 3.258 . . . . 0.0 114.491 -173.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -72.85 155.99 39.35 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.362 1.065 . . . . 0.0 113.8 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -47.13 -36.06 7.96 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 175.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 p -61.65 -54.83 37.56 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.273 1.029 . . . . 0.0 112.86 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -57.25 -42.02 80.71 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.059 1.344 . . . . 0.0 111.593 174.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.1 mtm-85 -68.98 -39.86 79.17 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 118.482 -0.771 . . . . 0.0 112.845 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -75.08 -28.03 60.14 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.556 1.071 . . . . 0.0 113.233 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -69.13 -44.53 72.15 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.058 0.844 . . . . 0.0 111.295 170.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.9 mt -59.03 -34.68 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 O-C-N 120.971 -1.081 . . . . 0.0 111.548 171.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -27.13 68.0 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.2 t -71.51 -45.16 69.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 120.374 1.443 . . . . 0.0 111.223 169.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -66.66 -17.73 65.0 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.3 p -114.46 -6.48 12.86 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.593 1.557 . . . . 0.0 113.57 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 62.3 t30 55.23 32.36 18.37 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.372 1.869 . . . . 0.0 114.748 -168.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.1 mp -83.78 -179.28 7.25 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.578 1.551 . . . . 0.0 111.191 167.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 p -106.1 154.29 20.86 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.417 1.487 . . . . 0.0 110.507 157.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -51.21 -46.66 62.3 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 -172.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.83 66.87 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -71.43 -39.87 70.76 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.863 -1.148 . . . . 0.0 111.177 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.8 t -62.22 -46.07 97.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.647 0.779 . . . . 0.0 109.896 169.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -60.99 -42.64 98.81 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.935 0.894 . . . . 0.0 112.991 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.9 t -61.49 -50.04 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.973 1.309 . . . . 0.0 110.475 174.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -55.68 -41.51 73.83 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.513 0.597 . . . . 0.0 112.302 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -66.67 -45.78 77.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.192 0.997 . . . . 0.0 113.407 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -70.01 -34.24 73.05 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.716 1.144 . . . . 0.0 112.412 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -65.76 -31.13 71.93 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.27 0.941 . . . . 0.0 111.716 170.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -45.6 89.38 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 119.41 1.005 . . . . 0.0 112.156 169.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 56.8 mtm-85 -63.84 -37.09 86.11 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 118.901 -0.571 . . . . 0.0 111.947 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.09 -46.6 86.61 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.819 0.736 . . . . 0.0 111.935 172.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -59.2 -42.55 91.19 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.469 1.031 . . . . 0.0 112.063 173.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -56.91 -53.2 60.72 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.771 0.828 . . . . 0.0 111.788 172.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -64.52 -34.26 77.82 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 120.683 -1.26 . . . . 0.0 113.131 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -89.83 -16.98 28.99 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 114.897 1.444 . . . . 0.0 114.897 -174.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -106.3 -46.85 3.94 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.8 1.24 . . . . 0.0 113.149 171.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -105.1 -27.67 11.48 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.616 1.166 . . . . 0.0 112.926 -167.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 65.54 -29.79 0.12 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 128.86 2.864 . . . . 0.0 116.082 173.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -148.2 -41.39 0.16 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.424 1.49 . . . . 0.0 114.028 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.8 mm 61.17 145.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 125.806 1.642 . . . . 0.0 112.668 -162.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.0 p -53.99 145.38 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.03 1.332 . . . . 0.0 112.752 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.9 p -74.02 147.46 42.91 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.317 -0.864 . . . . 0.0 112.457 -177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.0 t70 . . . . . 0 C--O 1.25 1.127 0 C-N-CA 126.267 1.827 . . . . 0.0 112.983 -166.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.542 0 O5'-C5'-C4' 114.846 3.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 1 P-O3'-C3' 124.685 4.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.489 0 P-O3'-C3' 123.078 2.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.443 0 O4'-C1'-N19 110.013 2.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.396 1 P-O3'-C3' 124.625 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.654 0 O5'-C5'-C4' 115.489 3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 0 O4'-C1'-N19 110.661 3.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.043 0 P-O3'-C3' 124.176 3.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.906 1 P-O3'-C3' 124.735 4.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.206 0 P-O3'-C3' 123.387 3.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.073 1 O4'-C1'-N19 113.905 7.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.76 0 O4'-C4'-C3' 108.736 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.16 2 O4'-C1'-N19 112.874 6.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.347 0 O4'-C1'-N19 110.73 3.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 1 O4'-C1'-N19 111.39 4.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.745 0 O4'-C1'-N19 109.496 2.12 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C4'-C3' 108.48 2.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.912 0 C4'-C3'-O3' 118.126 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.666 1 P-O3'-C3' 125.271 4.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.811 0 O4'-C1'-N19 110.647 3.558 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.773 0 P-O3'-C3' 123.482 3.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 0 O5'-C5'-C4' 114.904 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 1 O4'-C1'-N19 111.288 4.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.572 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.614 1 O4'-C1'-N19 111.117 4.147 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 C4'-C3'-C2' 100.673 -2.527 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.013 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.4 p -99.95 97.31 8.2 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 126.336 1.854 . . . . 0.0 109.932 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -73.3 124.44 25.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.542 0.737 . . . . 0.0 110.538 -172.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -132.09 168.63 17.64 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.319 1.048 . . . . 0.0 112.759 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 57.3 mtt85 -135.26 142.29 45.91 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.782 1.233 . . . . 0.0 113.179 174.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -80.38 -37.8 31.6 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 123.915 0.886 . . . . 0.0 113.092 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . 0.27 3.3 ttp85 46.13 62.9 2.06 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.486 2.714 . . . . 0.0 114.864 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -68.67 170.31 9.57 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.561 1.944 . . . . 0.0 115.078 -173.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -101.31 136.54 40.99 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.216 1.807 . . . . 0.0 111.48 164.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -91.2 126.54 36.31 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.875 0.761 . . . . 0.0 110.989 171.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.8 p -74.82 160.04 31.18 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.572 0.749 . . . . 0.0 111.992 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.0 p -55.88 -40.89 73.63 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.977 -1.077 . . . . 0.0 112.17 173.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -68.46 -31.37 70.62 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.38 -45.95 68.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.368 0.667 . . . . 0.0 111.019 170.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.1 mt -66.02 -37.06 84.94 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 -174.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.81 -43.2 85.56 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -171.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -77.54 -22.85 50.46 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.187 -0.946 . . . . 0.0 113.241 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.9 mt -74.48 -53.08 10.21 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.221 1.409 . . . . 0.0 111.39 176.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.4 -38.16 89.15 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.775 0.716 . . . . 0.0 112.016 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.15 -32.79 72.51 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.1 m -72.79 -46.03 55.43 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.781 0.432 . . . . 0.0 110.813 171.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -59.65 -26.69 65.73 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.818 0.847 . . . . 0.0 113.281 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -70.67 -12.41 61.54 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.519 1.528 . . . . 0.0 114.741 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -129.69 -22.11 3.01 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 -157.08 108.29 2.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.184 1.794 . . . . 0.0 109.928 -176.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -86.51 2.95 46.12 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -138.94 46.17 1.09 Allowed Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 125.105 1.362 . . . . 0.0 113.451 -171.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -60.24 129.31 29.42 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.783 2.322 . . . . 0.0 112.176 -173.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -64.3 154.61 34.73 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.15 1.78 . . . . 0.0 112.131 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 ptp -43.24 -41.28 3.82 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 115.308 1.596 . . . . 0.0 115.308 -175.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -78.0 -33.23 51.37 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.339 0.972 . . . . 0.0 113.192 -176.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -70.68 -39.02 73.76 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.12 0.968 . . . . 0.0 111.378 166.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.432 HH22 ' P ' ' C' ' 81' ' ' ' DG' . 29.4 ttm180 -65.98 -37.87 87.08 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.266 1.827 . . . . 0.0 112.476 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -76.44 -24.52 53.93 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.8 -42.81 81.02 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.943 1.247 . . . . 0.0 111.038 169.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.59 -35.14 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.751 -0.593 . . . . 0.0 110.116 172.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.0 -30.32 70.39 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 171.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -67.52 -47.64 79.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.611 1.55 . . . . 0.0 110.671 169.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 4.1 m95 -62.67 -34.71 77.67 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.829 0.741 . . . . 0.0 112.592 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.1 p -98.35 -5.23 33.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.486 1.515 . . . . 0.0 114.569 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.06 45.49 20.87 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.277 1.831 . . . . 0.0 113.429 -173.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.9 -162.81 0.83 Allowed 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.927 2.491 . . . . 0.0 110.231 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 p -125.05 158.59 33.38 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.909 2.083 . . . . 0.0 111.069 164.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -49.35 -49.36 44.68 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.753 1.621 . . . . 0.0 113.642 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.18 86.59 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.5 mmm180 -66.96 -36.69 82.77 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.832 -1.168 . . . . 0.0 112.318 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.12 -40.33 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 122.92 0.488 . . . . 0.0 110.691 168.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -60.29 -43.17 96.51 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.884 0.873 . . . . 0.0 112.802 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.4 t -57.44 -46.61 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.588 1.155 . . . . 0.0 111.378 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.2 t90 -60.67 -45.23 94.94 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.989 -0.444 . . . . 0.0 111.456 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.1 -44.43 95.71 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 -179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -67.29 -41.07 86.05 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.327 0.967 . . . . 0.0 112.047 177.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.67 -38.4 90.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.027 0.831 . . . . 0.0 112.057 173.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -33.42 73.96 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 177.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -78.25 -41.39 34.3 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.832 0.853 . . . . 0.0 111.528 171.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.91 -19.94 61.3 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -52.98 -27.3 18.49 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.013 1.279 . . . . 0.0 113.512 172.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -59.23 -51.24 70.84 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.021 0.828 . . . . 0.0 111.398 169.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -59.83 -45.71 91.51 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.377 -0.827 . . . . 0.0 110.964 174.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -63.44 -13.93 45.25 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -116.05 -29.86 6.19 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.139 1.375 . . . . 0.0 114.35 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -132.67 -26.45 1.8 Allowed 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 -166.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 56.39 -20.79 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 118.146 2.647 . . . . 0.0 118.146 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -155.34 -38.91 0.09 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.217 1.807 . . . . 0.0 113.54 -174.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mm -68.71 124.18 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 123.752 0.821 . . . . 0.0 110.153 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.0 p -121.51 141.41 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.05 0.94 . . . . 0.0 113.058 -162.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.8 p -139.6 5.36 2.21 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.487 1.915 . . . . 0.0 113.689 -171.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.797 1.639 . . . . 0.0 114.049 -171.052 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.507 0 O4'-C1'-N19 110.559 3.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.253 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 P-O3'-C3' 124.292 3.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.453 0 O4'-C4'-C3' 108.533 2.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.256 1 O4'-C1'-N19 112.788 6.235 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.259 0 O4'-C1'-N19 109.776 2.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C4'-C3' 108.767 3.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 P-O3'-C3' 124.247 3.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.707 0 P-O3'-C3' 122.994 2.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.792 0 O4'-C4'-C3' 108.264 2.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C1'-N19 113.656 7.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.122 0 O5'-C5'-C4' 114.473 3.052 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.663 1 O4'-C1'-N19 113.202 6.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.364 0 O4'-C4'-C3' 108.363 2.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . 0.432 ' P ' HH22 ' A' ' 31' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.715 1 O4'-C1'-N19 112.773 6.216 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.085 0 O5'-C5'-C4' 114.672 3.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.676 0 P-O3'-C3' 122.353 2.211 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.013 0 O4'-C4'-C3' 108.927 3.327 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.467 2 P-O3'-C3' 124.629 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.484 1 O4'-C1'-N19 111.282 4.353 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.652 0 O4'-C1'-N19 110.425 3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 0 O4'-C1'-N19 110.003 2.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.525 0 O4'-C1'-N19 110.372 3.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.348 3.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 P-O3'-C3' 124.111 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.793 0 O4'-C1'-N19 110.159 2.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.123 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.5 m 44.13 62.24 2.05 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 175.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -118.7 120.7 38.19 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.575 1.55 . . . . 0.0 109.091 174.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -64.13 151.24 43.8 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 119.644 1.111 . . . . 0.0 112.217 -177.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -105.54 174.02 6.06 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.307 1.443 . . . . 0.0 111.626 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -147.52 175.83 10.53 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.567 1.547 . . . . 0.0 110.373 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' NH1' ' H21' ' C' ' 89' ' ' ' DG' . 35.1 mtp85 -129.03 108.94 10.79 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.808 0.843 . . . . 0.0 110.176 162.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 t -83.34 164.2 20.16 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.72 0.808 . . . . 0.0 112.734 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -101.43 147.3 26.51 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.484 1.514 . . . . 0.0 111.351 165.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -125.12 132.38 53.12 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.942 1.697 . . . . 0.0 109.111 168.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.8 p -85.55 152.72 22.94 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 121.581 -0.699 . . . . 0.0 111.977 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.1 m -52.76 -37.32 59.33 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.563 1.145 . . . . 0.0 112.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -61.63 -31.32 71.4 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.34 1.056 . . . . 0.0 113.491 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -79.11 -47.81 15.45 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.865 0.866 . . . . 0.0 110.828 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.0 mt -55.2 -36.51 66.02 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.525 1.13 . . . . 0.0 112.408 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -62.96 -9.66 10.73 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 115.744 1.757 . . . . 0.0 115.744 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -99.35 -31.9 11.44 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 121.081 1.764 . . . . 0.0 112.631 165.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mp -74.4 -46.62 39.09 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.439 -0.788 . . . . 0.0 110.981 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.64 -37.06 73.73 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.39 -0.819 . . . . 0.0 112.548 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.73 -13.82 62.63 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.702 1.201 . . . . 0.0 113.0 173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.4 m -89.03 -54.15 4.26 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.409 1.084 . . . . 0.0 110.351 165.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -58.87 -28.55 66.23 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 114.209 -173.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -9.37 58.79 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 114.743 1.386 . . . . 0.0 114.743 177.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -123.59 -20.59 5.48 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.482 1.513 . . . . 0.0 114.601 174.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -148.94 114.35 5.57 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.128 1.371 . . . . 0.0 111.562 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -70.29 -19.81 63.07 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.475 1.51 . . . . 0.0 113.834 169.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.446 ' CD2' " H4'" ' C' ' 82' ' ' ' DG' . 63.0 m-85 -119.58 54.26 2.75 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.071 1.348 . . . . 0.0 113.034 -167.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -69.35 125.07 11.9 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.613 2.209 . . . . 0.0 110.601 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.93 170.81 11.91 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -175.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 24.0 ptp -48.97 -32.15 8.64 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 175.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -80.37 -41.7 24.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 118.861 0.755 . . . . 0.0 112.255 178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.1 m -59.13 -42.13 89.9 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.99 0.916 . . . . 0.0 110.51 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -68.31 -38.58 81.75 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.415 1.086 . . . . 0.0 112.909 176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -72.6 -28.48 62.81 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.147 1.339 . . . . 0.0 112.962 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -65.13 -48.22 74.35 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.139 0.881 . . . . 0.0 111.274 168.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.85 -40.89 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 O-C-N 121.529 -0.732 . . . . 0.0 110.514 171.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.89 -23.25 67.17 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.8 t -76.19 -51.76 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 119.724 1.147 . . . . 0.0 110.267 167.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -66.03 -23.0 66.47 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -174.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.8 p -119.75 2.24 11.1 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -174.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.8 t30 50.34 44.49 26.6 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.121 1.769 . . . . 0.0 114.999 -170.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.08 -172.84 2.94 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.672 1.189 . . . . 0.0 109.948 168.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.6 p -112.6 164.85 12.83 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 152.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -52.11 -42.38 63.23 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.323 -0.861 . . . . 0.0 111.403 173.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.53 81.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.628 0.771 . . . . 0.0 112.767 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -66.17 -41.41 90.36 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.553 1.07 . . . . 0.0 111.628 174.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.52 -42.89 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 122.945 0.498 . . . . 0.0 110.035 173.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 -59.42 -24.2 63.29 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.186 1.394 . . . . 0.0 114.027 177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.9 t -83.6 -46.04 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.828 1.251 . . . . 0.0 112.316 172.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -61.71 -40.31 94.58 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.79 0.723 . . . . 0.0 112.107 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -65.87 -48.34 71.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.091 0.957 . . . . 0.0 112.785 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -66.98 -25.51 66.35 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 119.815 1.189 . . . . 0.0 113.299 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -76.02 -26.95 57.15 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 121.052 -1.03 . . . . 0.0 112.89 168.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -34.56 72.57 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.344 -1.472 . . . . 0.0 112.821 170.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -56.94 -50.8 71.51 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.744 0.818 . . . . 0.0 111.002 162.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.06 -37.55 74.64 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -57.51 -49.15 77.27 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 119.369 0.986 . . . . 0.0 112.087 171.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -61.99 -45.25 94.44 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.418 0.687 . . . . 0.0 111.405 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -56.79 -44.26 81.72 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.962 1.305 . . . . 0.0 112.299 175.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -80.43 -31.53 37.54 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -87.93 -34.12 18.23 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -138.45 -3.86 1.68 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -173.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 57.37 -57.55 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 128.566 2.746 . . . . 0.0 114.888 -165.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -142.89 -14.13 0.73 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.952 1.301 . . . . 0.0 114.309 172.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.7 mt -78.67 129.95 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 118.919 0.781 . . . . 0.0 112.512 -158.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.9 t -77.55 126.99 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.681 1.592 . . . . 0.0 110.576 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.5 t -115.36 -34.06 5.08 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.503 1.521 . . . . 0.0 112.347 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.6 t0 . . . . . 0 C--O 1.252 1.197 0 C-N-CA 126.193 1.797 . . . . 0.0 114.033 -165.482 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 0 O4'-C1'-N19 110.927 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C4'-C3' 108.968 3.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.392 0 O4'-C4'-C3' 109.228 3.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 1 O4'-C1'-N19 111.705 4.881 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.59 3.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.326 1 O5'-C5'-C4' 115.863 4.045 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.927 2 O5'-C5'-C4' 117.047 4.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.7 1 P-O3'-C3' 125.042 4.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.048 0 O4'-C4'-C3' 108.616 3.016 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.762 1 O4'-C1'-N19 112.426 5.783 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.567 1 P-O3'-C3' 125.071 4.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.985 0 O5'-C5'-C4' 114.231 2.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 1 O4'-C1'-N19 111.228 4.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.175 1 O4'-C1'-N19 111.562 4.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.852 0 O4'-C1'-N19 110.167 2.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . 0.446 " H4'" ' CD2' ' A' ' 25' ' ' TYR . . . . . . . . 0 C5'--C4' 1.532 2.642 1 O4'-C1'-N19 112.802 6.252 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 0 O4'-C1'-N19 110.533 3.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.945 0 O4'-C4'-C3' 108.4 2.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 1 P-O3'-C3' 125.788 5.073 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 1 O4'-C1'-N19 111.964 5.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.655 0 O4'-C4'-C3' 109.071 3.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.681 0 P-O3'-C3' 123.787 3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . 0.486 ' H21' ' NH1' ' A' ' 5' ' ' ARG . . . . . . . . 0 O4'--C4' 1.413 -3.02 1 O4'-C1'-N19 111.831 5.038 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.606 0 O5'-C5'-C4' 113.273 2.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 0 O5'-C5'-C4' 114.398 2.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.347 2 O4'-C1'-N19 111.508 4.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.094 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 86.7 p -106.58 142.98 35.35 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.352 1.061 . . . . 0.0 113.566 -174.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -76.74 1.92 15.81 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 114.699 1.37 . . . . 0.0 114.699 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -159.27 173.16 16.75 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.701 2.401 . . . . 0.0 110.348 169.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -77.0 168.67 19.71 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 122.57 1.176 . . . . 0.0 113.838 169.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.59 173.76 11.18 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.106 1.762 . . . . 0.0 113.097 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -139.8 152.91 46.92 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.074 1.349 . . . . 0.0 110.768 149.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.4 m 44.53 108.41 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.01 1 C-N-CA 131.802 4.041 . . . . 0.0 117.384 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -114.88 28.27 8.84 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.915 1.286 . . . . 0.0 113.35 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -128.27 131.6 48.72 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.45 1.1 . . . . 0.0 112.377 -173.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.3 p -101.09 164.66 11.7 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.452 1.901 . . . . 0.0 110.165 164.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.3 m -60.6 -36.58 78.92 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.268 -1.52 . . . . 0.0 112.305 173.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -64.11 -29.1 70.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.858 1.263 . . . . 0.0 113.328 173.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -80.54 -42.32 22.61 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.086 0.954 . . . . 0.0 111.317 171.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.78 -34.44 77.25 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.089 1.356 . . . . 0.0 112.979 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -62.05 -22.57 65.86 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 173.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -87.14 -33.54 19.39 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.666 1.575 . . . . 0.0 111.78 171.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.26 -45.12 74.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.321 1.048 . . . . 0.0 111.879 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -72.84 -34.15 66.61 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.379 -0.826 . . . . 0.0 112.654 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.85 -27.73 66.95 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.685 -0.634 . . . . 0.0 112.502 173.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.1 m -68.89 -53.19 22.54 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.5 0.72 . . . . 0.0 110.54 166.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -54.06 -37.04 63.75 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.921 0.782 . . . . 0.0 112.864 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -63.45 -24.84 68.0 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -106.88 -28.99 9.76 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 119.925 1.239 . . . . 0.0 113.997 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -151.11 119.27 6.3 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.504 1.522 . . . . 0.0 111.367 -178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -76.84 -20.25 56.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.59 1.156 . . . . 0.0 113.494 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -141.35 78.91 18.11 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 125.508 1.523 . . . . 0.0 111.332 -171.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.25 165.29 22.56 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.135 2.557 . . . . 0.0 113.129 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -81.8 158.49 24.08 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.733 1.613 . . . . 0.0 112.085 173.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 27.8 ptm -53.03 -33.44 51.81 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.014 -1.054 . . . . 0.0 113.071 164.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.3 p -75.67 -14.43 60.36 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.69 1.196 . . . . 0.0 113.745 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 65.2 m -101.01 -40.13 7.39 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.894 1.678 . . . . 0.0 111.581 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -56.96 -33.03 66.64 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.442 -0.786 . . . . 0.0 112.511 174.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -70.42 -29.06 65.57 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 114.114 1.153 . . . . 0.0 114.114 173.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -74.95 -45.7 40.54 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 120.03 1.286 . . . . 0.0 110.643 178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 61.6 mt -53.22 -41.26 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 124.246 1.018 . . . . 0.0 109.836 170.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.2 -39.78 89.91 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.994 0.918 . . . . 0.0 113.31 174.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.35 -38.99 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 CA-C-N 119.927 1.24 . . . . 0.0 111.885 173.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -70.67 -29.21 65.48 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.7 p -106.38 -6.86 17.97 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -172.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.1 t30 69.91 9.65 7.19 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 127.263 2.225 . . . . 0.0 115.617 -170.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mp -70.08 -178.14 1.55 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.949 1.299 . . . . 0.0 111.66 169.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.9 p -119.23 156.55 29.71 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.57 1.548 . . . . 0.0 110.217 159.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -42.5 -52.0 4.86 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.423 1.889 . . . . 0.0 114.384 -174.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.86 -21.33 66.4 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -83.31 -35.8 24.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.503 1.121 . . . . 0.0 111.54 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.19 -39.95 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 123.152 0.581 . . . . 0.0 110.046 166.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -57.51 -43.32 84.16 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.809 1.244 . . . . 0.0 112.215 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.19 -53.46 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.401 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -59.31 -42.35 91.18 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.751 1.16 . . . . 0.0 111.994 -175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.31 -54.89 38.09 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.598 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -67.76 -38.24 83.16 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.245 0.93 . . . . 0.0 112.757 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -68.01 -34.85 77.29 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.508 -0.745 . . . . 0.0 112.027 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -73.74 -23.32 59.73 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 117.694 -1.146 . . . . 0.0 113.479 170.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -69.79 -47.99 60.85 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 120.632 1.56 . . . . 0.0 110.035 164.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.83 -30.48 67.69 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.75 1.22 . . . . 0.0 113.153 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -53.07 -36.65 60.89 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.33 1.052 . . . . 0.0 112.393 173.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -68.89 -46.42 68.43 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.21 0.604 . . . . 0.0 111.632 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -90.84 -13.38 33.86 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -169.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -70.74 -50.1 39.72 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.373 -0.829 . . . . 0.0 109.966 160.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -69.06 -43.63 74.23 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 178.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -135.02 43.5 2.69 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.672 1.189 . . . . 0.0 113.694 -165.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -69.34 -20.99 63.86 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 119.299 -2.126 . . . . 0.0 110.753 149.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -66.94 -19.21 65.68 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.791 1.637 . . . . 0.0 114.494 169.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.1 mt -129.32 100.23 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.298 1.039 . . . . 0.0 110.263 -176.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 42.9 t -139.53 124.75 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 126.544 1.937 . . . . 0.0 108.925 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.5 p 57.69 -9.43 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 128.173 2.589 . . . . 0.0 117.114 -174.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.256 1.415 0 C-N-CA 126.736 2.014 . . . . 0.0 113.931 -178.478 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.546 4.4 0 O5'-C5'-C4' 114.882 3.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.333 1 P-O3'-C3' 125.068 4.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.07 0 P-O3'-C3' 123.623 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.132 0 C1'-O4'-C4' 105.482 -3.013 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . 0.405 " H1'" ' C8 ' ' B' ' 72' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.438 0 N19-C1'-C2' 118.817 2.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . 0.405 ' C8 ' " H1'" ' B' ' 71' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.461 0 P-O3'-C3' 123.113 2.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.425 0 O4'-C4'-C3' 109.559 3.959 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 1 O4'-C1'-N19 112.273 5.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 0 O4'-C1'-N19 110.468 3.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.203 0 O5'-C5'-C4' 114.371 2.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.126 2 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.208 0 O5'-C5'-C4' 114.961 3.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 1 O4'-C1'-N19 113.006 6.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.054 0 O4'-C1'-N19 110.678 3.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.544 4.104 1 O4'-C1'-N19 114.193 7.991 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 3.972 0 P-O3'-C3' 123.534 3.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.47 1 O4'-C1'-N19 111.083 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.114 0 O4'-C4'-C3' 109.191 3.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.493 0 O5'-C5'-C4' 115.086 3.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.494 0 O4'-C4'-C3' 108.404 2.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.48 0 P-O3'-C3' 123.56 3.217 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.29 0 O4'-C1'-N19 110.627 3.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.513 0 O4'-C1'-N19 110.73 3.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.359 1 O4'-C1'-N19 112.066 5.332 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 0 P-O3'-C3' 124.022 3.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.28 0 O4'-C4'-C3' 108.38 2.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.103 0 N-CA-C 109.113 -1.595 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 75.2 m -80.01 156.59 27.09 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 117.896 0.848 . . . . 0.0 113.214 176.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -80.15 133.89 36.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.937 1.295 . . . . 0.0 112.625 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.36 140.96 30.76 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.845 1.258 . . . . 0.0 111.494 166.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.9 ttm105 54.71 119.48 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 128.529 2.731 . . . . 0.0 115.361 -171.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -71.8 -30.51 65.6 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.417 1.265 . . . . 0.0 114.417 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 21.54 81.93 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 130.013 3.325 . . . . 0.0 113.909 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.4 t -69.91 166.0 20.45 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -122.85 73.99 1.18 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.011 2.124 . . . . 0.0 111.181 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -50.29 148.72 3.38 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.785 1.634 . . . . 0.0 114.178 -175.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.4 p -68.4 155.32 40.08 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.572 -0.705 . . . . 0.0 110.423 163.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 m -65.22 -25.56 67.75 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.836 -1.165 . . . . 0.0 111.055 169.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -62.75 -38.08 89.15 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.571 1.148 . . . . 0.0 112.813 170.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -68.78 -44.94 72.59 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.179 0.9 . . . . 0.0 111.004 172.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.1 mt -62.56 -37.26 85.47 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -63.58 -26.35 68.65 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -83.94 -32.64 24.95 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.793 1.179 . . . . 0.0 112.098 171.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.3 mt -67.86 -50.34 57.06 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.916 0.887 . . . . 0.0 111.568 176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.98 -40.03 83.18 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.022 0.828 . . . . 0.0 112.263 179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.0 79.76 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.936 -0.477 . . . . 0.0 111.634 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 51.4 m -70.02 -48.05 59.62 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 118.875 -0.583 . . . . 0.0 111.096 171.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -56.95 -34.83 68.41 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.144 0.978 . . . . 0.0 112.546 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -71.74 -14.32 61.98 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -116.01 -17.81 10.82 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 59.1 t-20 -156.21 120.2 4.44 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.029 1.331 . . . . 0.0 111.348 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -106.39 6.23 30.22 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.399 1.879 . . . . 0.0 113.93 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -136.63 58.87 21.57 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 126.971 2.108 . . . . 0.0 112.091 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.14 159.55 46.29 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.787 2.325 . . . . 0.0 112.565 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -90.47 159.42 16.54 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.83 1.652 . . . . 0.0 113.155 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 16.6 ptp -48.02 -40.55 23.09 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 173.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 t -90.65 -6.06 55.04 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.6 m -86.32 -35.96 19.56 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.665 1.186 . . . . 0.0 110.832 161.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -64.77 -39.76 94.14 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.566 1.147 . . . . 0.0 112.096 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -72.71 -26.04 61.44 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 174.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -66.88 -47.77 70.8 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.379 0.991 . . . . 0.0 110.987 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 67.1 mt -57.29 -36.55 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.261 0.624 . . . . 0.0 110.35 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.42 -19.21 63.01 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 173.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.47 -52.3 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 120.67 1.577 . . . . 0.0 109.81 164.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -59.19 -40.82 86.92 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.634 0.773 . . . . 0.0 112.254 -174.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.9 p -94.93 -6.48 42.42 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.007 1.323 . . . . 0.0 113.957 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 57.01 32.94 22.55 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.798 2.039 . . . . 0.0 115.086 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.21 -171.51 3.47 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 127.174 2.19 . . . . 0.0 111.175 171.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.4 162.81 12.71 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.308 -0.87 . . . . 0.0 109.411 157.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.74 -46.94 64.21 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.827 0.851 . . . . 0.0 111.88 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.26 90.08 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -61.97 -34.15 75.61 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 120.845 -1.159 . . . . 0.0 112.017 179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.1 t -71.6 -45.32 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.083 0.953 . . . . 0.0 110.688 173.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -53.44 -40.35 65.15 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.738 1.215 . . . . 0.0 112.029 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.3 t -72.43 -36.0 53.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 127.12 2.168 . . . . 0.0 112.805 178.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 50.3 t90 -65.88 -42.69 90.02 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.552 1.069 . . . . 0.0 111.196 177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -62.11 -41.77 98.55 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -73.81 -28.79 61.8 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -76.65 -27.94 55.84 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.515 0.598 . . . . 0.0 112.419 170.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -69.17 -33.42 73.37 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.904 -1.123 . . . . 0.0 113.331 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.9 ptm85 -74.95 -31.99 61.62 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 167.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.81 85.71 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.226 -0.921 . . . . 0.0 112.107 170.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -61.15 -22.87 65.11 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 170.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -77.97 -52.16 9.25 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.359 0.981 . . . . 0.0 110.943 167.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -55.37 -39.66 70.36 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -85.39 -1.97 57.58 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -171.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -115.65 -35.18 4.61 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.638 1.575 . . . . 0.0 112.756 165.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -139.87 -103.61 0.16 Allowed 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.811 1.644 . . . . 0.0 114.505 175.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 55.31 -30.74 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.984 2.113 . . . . 0.0 115.392 -152.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -68.62 -13.36 62.3 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.498 -1.377 . . . . 0.0 113.261 166.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.1 mm -105.02 140.73 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 125.679 1.592 . . . . 0.0 107.708 158.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 13.2 p -131.61 142.69 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.032 0.933 . . . . 0.0 111.487 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.6 m -70.06 139.53 52.64 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.932 0.893 . . . . 0.0 110.7 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 t70 . . . . . 0 C--O 1.248 0.991 0 C-N-CA 125.679 1.592 . . . . 0.0 111.986 -179.659 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.682 0 O4'-C1'-N19 110.177 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.725 0 O5'-C5'-C4' 114.856 3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.148 0 P-O3'-C3' 123.997 3.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.679 0 P-O3'-C3' 124.073 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.227 1 O4'-C1'-N19 112.011 5.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.597 0 O5'-C5'-C4' 113.794 2.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.265 0 O4'-C1'-N19 110.974 3.968 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.304 2 O4'-C1'-N19 113.204 6.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.309 0 O5'-C5'-C4' 114.904 3.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.984 0 O4'-C1'-N19 110.801 3.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.017 1 O4'-C1'-N19 111.671 4.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.072 0 P-O3'-C3' 123.872 3.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.576 2 O4'-C1'-N19 111.656 4.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.269 0 O4'-C1'-N19 110.118 2.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 1 O4'-C1'-N19 112.395 5.744 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.248 0 O3'-P-O5' 97.492 -3.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.869 0 O4'-C1'-N19 109.697 2.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.721 3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.146 1 P-O3'-C3' 124.827 4.272 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.686 1 O4'-C1'-N19 111.475 4.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.922 0 O4'-C1'-N19 110.606 3.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' ' DA' . . . . . 0.519 " H1'" ' C8 ' ' C' ' 89' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.862 1 O4'-C1'-N19 112.33 5.663 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' ' DG' . . . . . 0.519 ' C8 ' " H1'" ' C' ' 88' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.216 0 O4'-C1'-N19 110.942 3.928 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 90' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.646 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 91' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.454 0 P-O3'-C3' 124.111 3.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 92' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.746 0 P-O3'-C3' 122.915 2.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_