data_2l64_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 2l64 _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 ' 10' ' ' MET . . . . . . . . . . . . . 19.6 ttt . . . . . 0 CA--C 1.514 -0.429 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -81.09 -41.9 21.82 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.67 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 p -62.53 -39.15 92.65 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.857 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.34 -27.68 28.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-N 120.361 1.437 . . . . 0.0 110.644 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -84.04 -55.18 4.35 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.321 1.419 . . . . 0.0 107.443 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.19 -50.4 71.31 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.408 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -82.94 -43.23 16.7 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.473 -1.251 . . . . 0.0 111.239 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.21 50.88 0.8 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 119.551 1.068 . . . . 0.0 110.33 -172.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.55 -56.4 0.05 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.353 -0.832 . . . . 0.0 109.521 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.802 0 CA-C-N 119.505 1.048 . . . . 0.0 110.243 175.18 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 43.3 ttm . . . . . 0 CA--C 1.514 -0.417 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -89.75 -35.6 15.65 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.353 0.979 . . . . 0.0 112.005 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -66.19 -39.26 89.54 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.945 1.248 . . . . 0.0 109.167 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 pt -59.02 -40.32 80.41 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 CA-C-N 120.239 1.381 . . . . 0.0 111.105 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -75.5 -37.86 59.86 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 121.004 1.729 . . . . 0.0 109.491 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.73 -50.66 28.16 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.967 1.258 . . . . 0.0 109.535 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -81.76 -39.4 24.18 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 117.864 -1.065 . . . . 0.0 111.517 -173.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.23 55.16 0.66 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.254 0.933 . . . . 0.0 109.954 -171.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.67 -52.97 0.03 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.55 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.822 0 CA-C-O 118.309 -0.853 . . . . 0.0 109.366 175.208 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.513 -0.464 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -89.03 -41.14 12.51 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.053 0.842 . . . . 0.0 111.256 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 p -61.63 -36.85 81.96 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.575 1.08 . . . . 0.0 110.115 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -60.09 -36.35 67.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-N 120.337 1.426 . . . . 0.0 110.037 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.39 -52.64 10.28 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.965 1.257 . . . . 0.0 108.558 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.42 -48.19 82.84 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.856 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -86.15 -38.19 17.97 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.736 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.37 52.45 0.71 Allowed 'General case' 0 C--N 1.358 0.965 0 CA-C-N 119.428 1.013 . . . . 0.0 109.859 -171.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.09 -54.3 0.03 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.122 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.901 0 CA-C-O 117.43 -1.272 . . . . 0.0 109.3 174.558 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.1 ttp . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -88.4 -41.83 12.56 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.054 1.297 . . . . 0.0 110.52 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -60.43 -35.63 76.26 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.506 1.048 . . . . 0.0 110.637 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -57.98 -33.98 47.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-N 120.38 1.445 . . . . 0.0 110.317 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -85.62 -44.98 12.15 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.665 1.12 . . . . 0.0 108.032 -175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.59 -48.64 78.55 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.078 1.308 . . . . 0.0 110.637 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -86.34 -39.84 16.04 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 117.896 -1.049 . . . . 0.0 111.998 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 54.33 0.71 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.373 0.988 . . . . 0.0 109.425 -172.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.64 -54.59 0.03 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.199 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.851 0 CA-C-O 117.492 -1.242 . . . . 0.0 109.486 175.02 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.112 -0.947 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -87.78 -42.97 12.22 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.456 1.025 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -59.37 -41.3 88.96 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.448 1.022 . . . . 0.0 109.804 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.7 pt -54.74 -37.69 40.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 120.198 1.363 . . . . 0.0 110.951 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mp -75.32 -50.86 14.67 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 120.441 1.473 . . . . 0.0 108.881 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.52 -47.62 84.83 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.886 1.221 . . . . 0.0 110.804 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -87.56 -39.59 14.99 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.667 -1.159 . . . . 0.0 111.849 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.59 53.01 0.72 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.649 1.113 . . . . 0.0 109.58 -172.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.19 -51.62 0.03 OUTLIER 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.648 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.874 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.534 174.317 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.4 ttm . . . . . 0 CA--C 1.513 -0.448 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -81.59 -41.08 22.06 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.889 1.222 . . . . 0.0 110.299 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 p -61.24 -43.83 98.24 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.351 0.978 . . . . 0.0 110.169 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 pt -53.3 -36.47 26.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.664 1.12 . . . . 0.0 110.013 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tt -80.11 -55.21 5.1 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.06 -51.52 63.82 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.188 0.904 . . . . 0.0 111.288 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -80.76 -42.2 22.21 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 117.999 -1.0 . . . . 0.0 111.368 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.98 52.03 0.75 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-N 119.138 0.881 . . . . 0.0 110.247 -170.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.78 -53.6 0.04 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.861 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.91 0 CA-C-N 119.088 0.858 . . . . 0.0 109.044 172.552 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.557 -0.735 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -83.72 -41.26 17.87 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.634 1.106 . . . . 0.0 110.309 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -60.02 -40.25 88.64 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.869 -178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 pt -55.74 -38.42 50.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-N 120.073 1.306 . . . . 0.0 110.206 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.89 -58.67 3.26 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.465 1.484 . . . . 0.0 107.999 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -54.15 -52.94 59.52 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.499 -172.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -88.3 -19.01 27.29 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 116.527 -1.701 . . . . 0.0 112.885 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.43 43.52 2.87 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 121.452 1.933 . . . . 0.0 110.403 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.51 -60.08 0.19 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.14 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.897 0 CA-C-O 116.076 -1.916 . . . . 0.0 112.602 175.788 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 ttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.984 -0.532 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -81.63 -42.31 20.19 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.222 0.919 . . . . 0.0 110.431 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.6 p -63.22 -42.9 99.32 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.072 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -53.58 -34.12 23.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-N 120.102 1.319 . . . . 0.0 110.217 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -79.53 -58.85 2.99 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.44 -49.98 66.23 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-N 119.272 0.942 . . . . 0.0 111.588 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -82.4 -43.22 17.61 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.422 -173.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.37 55.2 0.72 Allowed 'General case' 0 C--N 1.358 0.935 0 CA-C-N 119.3 0.954 . . . . 0.0 109.692 -171.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.33 -52.72 0.03 OUTLIER 'General case' 0 C--N 1.356 0.851 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.114 177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.901 0 CA-C-O 118.11 -0.948 . . . . 0.0 108.528 174.137 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.9 ttt . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.11 -43.04 14.22 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.358 0.981 . . . . 0.0 110.633 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -62.17 -43.08 99.64 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.438 1.017 . . . . 0.0 109.959 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -52.36 -35.8 20.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 CA-C-N 119.773 1.17 . . . . 0.0 110.076 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.96 -51.79 7.71 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.12 -52.52 64.97 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.402 1.001 . . . . 0.0 110.943 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -82.08 -42.68 18.87 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.712 -1.137 . . . . 0.0 111.593 -172.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.11 51.76 0.82 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.365 0.984 . . . . 0.0 110.312 -172.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.18 -55.98 0.03 OUTLIER 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.965 -0.541 . . . . 0.0 109.86 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.875 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.527 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.7 mtt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -84.19 -38.47 20.56 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.715 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -68.33 -45.8 71.93 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 120.166 1.348 . . . . 0.0 109.237 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -54.91 -36.21 37.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 119.932 1.242 . . . . 0.0 110.207 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -56.02 4.52 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.34 -53.92 52.64 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 118.717 0.69 . . . . 0.0 111.057 -178.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -76.49 -46.17 27.89 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.936 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.38 54.22 0.76 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.123 0.874 . . . . 0.0 110.451 -169.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.0 -50.75 0.03 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.087 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.814 0 CA-C-N 119.163 0.892 . . . . 0.0 109.053 172.327 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 59.8 m80 . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.26 -62.61 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -150.53 -67.23 0.19 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.62 -19.53 70.79 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-O 117.602 -1.665 . . . . 0.0 112.391 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t 56.5 37.72 29.05 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.8 1.8 . . . . 0.0 110.232 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -88.48 -34.27 17.51 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.296 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.9 t -49.1 -47.03 45.57 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.533 1.06 . . . . 0.0 111.178 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -51.54 -58.39 6.44 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.645 -176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -60.57 -37.25 80.68 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.192 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.6 ttt -60.96 -30.0 69.99 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.699 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -81.09 -41.9 21.82 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.67 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 p -62.53 -39.15 92.65 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.857 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.34 -27.68 28.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-N 120.361 1.437 . . . . 0.0 110.644 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -84.04 -55.18 4.35 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.321 1.419 . . . . 0.0 107.443 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.19 -50.4 71.31 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.408 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -82.94 -43.23 16.7 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.473 -1.251 . . . . 0.0 111.239 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.21 50.88 0.8 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 119.551 1.068 . . . . 0.0 110.33 -172.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.55 -56.4 0.05 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.353 -0.832 . . . . 0.0 109.521 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.9 -44.68 60.01 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.505 1.048 . . . . 0.0 110.243 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp85 -95.11 10.47 35.7 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.724 -1.131 . . . . 0.0 112.887 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -134.21 25.7 3.86 Favored 'General case' 0 C--N 1.357 0.93 0 CA-C-N 120.033 1.288 . . . . 0.0 112.114 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.14 -45.78 3.04 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 119.536 1.062 . . . . 0.0 109.509 174.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.97 28.81 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 120.29 1.404 . . . . 0.0 111.567 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -135.66 40.13 2.79 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 119.555 1.071 . . . . 0.0 110.492 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.7 -41.78 0.03 OUTLIER 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.554 -1.212 . . . . 0.0 113.85 -176.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.7 mt -129.71 51.62 2.06 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 172.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -171.56 -47.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-O 117.442 -1.266 . . . . 0.0 110.167 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -50.36 -34.77 25.23 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 120.878 1.672 . . . . 0.0 109.766 176.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -44.04 11.61 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.187 0.903 . . . . 0.0 110.756 173.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.44 32.05 0.8 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.942 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -143.0 -60.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-N 119.8 1.182 . . . . 0.0 107.932 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -45.54 -33.71 2.9 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 117.992 -1.004 . . . . 0.0 111.192 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 p30 . . . . . 0 C--N 1.356 0.857 0 CA-C-N 119.127 0.876 . . . . 0.0 109.082 178.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.3 m80 . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.44 60.95 1.69 Allowed 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.04 -60.15 3.83 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.78 -49.29 1.1 Allowed Glycine 0 C--N 1.355 1.602 0 CA-C-O 118.548 -1.14 . . . . 0.0 112.711 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t 59.88 37.38 21.71 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.665 1.232 . . . . 0.0 110.312 -173.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -71.65 -36.61 70.74 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.347 -0.835 . . . . 0.0 108.848 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.2 t -46.03 -45.75 16.2 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.549 0.613 . . . . 0.0 111.322 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.76 -51.7 67.88 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.342 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -74.11 -15.72 61.04 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.702 -1.142 . . . . 0.0 111.715 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 43.3 ttm -82.1 -29.21 31.86 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 120.696 1.589 . . . . 0.0 111.151 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -89.75 -35.6 15.65 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.353 0.979 . . . . 0.0 112.005 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -66.19 -39.26 89.54 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.945 1.248 . . . . 0.0 109.167 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 pt -59.02 -40.32 80.41 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 CA-C-N 120.239 1.381 . . . . 0.0 111.105 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -75.5 -37.86 59.86 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 121.004 1.729 . . . . 0.0 109.491 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.73 -50.66 28.16 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.967 1.258 . . . . 0.0 109.535 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -81.76 -39.4 24.18 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 117.864 -1.065 . . . . 0.0 111.517 -173.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.23 55.16 0.66 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.254 0.933 . . . . 0.0 109.954 -171.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.67 -52.97 0.03 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.55 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.49 61.12 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.309 -0.853 . . . . 0.0 109.366 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -100.62 36.72 1.85 Allowed 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.561 -0.733 . . . . 0.0 111.138 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -145.43 30.21 1.13 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-N 119.438 1.017 . . . . 0.0 113.108 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -107.06 -24.06 12.1 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.016 0.825 . . . . 0.0 112.272 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -151.21 -63.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.914 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.186 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -24.9 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.355 0.814 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 173.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -39.41 17.65 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 120.366 1.439 . . . . 0.0 111.157 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' ILE . 51.5 tp -68.34 -31.8 71.46 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.535 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -37.59 -37.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -130.81 60.74 1.64 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.445 1.929 . . . . 0.0 107.573 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.3 m -134.99 -61.01 0.76 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -90.04 -5.73 56.3 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.779 -1.105 . . . . 0.0 110.679 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -96.42 -58.97 3.43 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 CA-C-N 120.589 1.54 . . . . 0.0 107.018 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.7 m -59.75 -23.0 62.87 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.336 -1.316 . . . . 0.0 111.67 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.355 0.834 0 CA-C-N 119.745 1.157 . . . . 0.0 110.779 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 . . . . . 0 CA--C 1.511 -0.525 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.21 67.45 0.42 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -55.28 -47.76 75.04 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.418 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.78 50.01 0.36 Allowed Glycine 0 C--N 1.354 1.547 0 C-N-CA 119.834 -1.175 . . . . 0.0 111.984 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m 47.39 70.16 0.44 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 117.835 0.818 . . . . 0.0 110.723 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -50.46 -47.13 57.08 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 t -47.26 -46.34 24.58 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.725 -0.655 . . . . 0.0 112.403 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -55.37 -50.69 69.05 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.869 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -67.29 -30.38 70.23 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.08 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -30.45 69.9 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.768 1.167 . . . . 0.0 111.135 -177.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -89.03 -41.14 12.51 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.053 0.842 . . . . 0.0 111.256 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 p -61.63 -36.85 81.96 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.575 1.08 . . . . 0.0 110.115 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -60.09 -36.35 67.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-N 120.337 1.426 . . . . 0.0 110.037 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.39 -52.64 10.28 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.965 1.257 . . . . 0.0 108.558 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.42 -48.19 82.84 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.856 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -86.15 -38.19 17.97 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.736 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.37 52.45 0.71 Allowed 'General case' 0 C--N 1.358 0.965 0 CA-C-N 119.428 1.013 . . . . 0.0 109.859 -171.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.09 -54.3 0.03 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.122 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.14 -40.31 58.26 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 117.43 -1.272 . . . . 0.0 109.3 174.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -115.02 56.92 0.73 Allowed 'General case' 0 C--N 1.359 1.002 0 CA-C-N 119.084 0.856 . . . . 0.0 109.809 171.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.09 33.82 0.29 Allowed 'General case' 0 C--N 1.355 0.809 0 C-N-CA 119.603 -0.839 . . . . 0.0 113.045 167.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 174.91 112.02 0.02 OUTLIER 'General case' 0 C--N 1.357 0.899 0 CA-C-O 117.18 -1.391 . . . . 0.0 107.992 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 mm 62.74 34.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 120.071 1.305 . . . . 0.0 110.145 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -159.34 -60.52 0.07 Allowed 'General case' 0 C--N 1.358 0.943 0 CA-C-N 118.801 0.728 . . . . 0.0 110.04 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -24.44 67.79 Favored 'General case' 0 C--N 1.357 0.93 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.714 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -110.43 -1.66 16.96 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 117.757 -1.116 . . . . 0.0 111.493 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.37 -54.81 3.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 CA-C-N 120.29 1.405 . . . . 0.0 109.584 -172.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -70.49 -25.14 63.02 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.24 0.927 . . . . 0.0 109.486 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.3 p -86.3 -10.95 53.51 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 116.882 -1.532 . . . . 0.0 113.59 -175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -137.97 32.89 2.4 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-N 120.768 1.622 . . . . 0.0 111.755 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.8 mt -148.28 -58.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.982 0 CA-C-N 118.91 0.777 . . . . 0.0 109.358 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.0 m -59.4 -26.59 65.26 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.647 -1.168 . . . . 0.0 110.863 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--N 1.356 0.889 0 CA-C-N 119.834 1.197 . . . . 0.0 108.2 179.361 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 CA--C 1.509 -0.598 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.48 -51.31 44.78 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.006 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -162.08 -64.39 0.05 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.285 -175.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.41 -55.95 0.54 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 m -143.61 57.78 1.37 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -46.9 88.73 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.5 t -44.74 -53.67 7.1 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.708 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.82 -50.65 60.43 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.456 1.026 . . . . 0.0 109.699 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -65.69 -34.82 79.09 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.769 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.1 ttp -69.45 -18.69 63.75 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.351 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -88.4 -41.83 12.56 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.054 1.297 . . . . 0.0 110.52 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -60.43 -35.63 76.26 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.506 1.048 . . . . 0.0 110.637 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -57.98 -33.98 47.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-N 120.38 1.445 . . . . 0.0 110.317 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -85.62 -44.98 12.15 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.665 1.12 . . . . 0.0 108.032 -175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.59 -48.64 78.55 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.078 1.308 . . . . 0.0 110.637 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -86.34 -39.84 16.04 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 117.896 -1.049 . . . . 0.0 111.998 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 54.33 0.71 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.373 0.988 . . . . 0.0 109.425 -172.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.64 -54.59 0.03 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.199 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.96 -37.95 54.79 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.492 -1.242 . . . . 0.0 109.486 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -118.51 52.85 1.01 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.875 0.762 . . . . 0.0 109.948 174.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -156.23 33.8 0.33 Allowed 'General case' 0 C--N 1.355 0.829 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 168.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 174.53 112.79 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.236 -1.364 . . . . 0.0 107.908 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm 63.19 32.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 120.471 1.487 . . . . 0.0 109.97 -177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -158.22 -62.32 0.08 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.87 0.759 . . . . 0.0 109.79 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -19.44 65.89 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 117.527 -1.225 . . . . 0.0 112.684 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 tp -122.02 32.54 5.79 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 119.61 1.095 . . . . 0.0 108.264 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -158.09 -56.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-N 119.051 0.841 . . . . 0.0 109.685 -172.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -72.07 -43.48 64.81 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 173.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.6 m -83.52 -32.43 25.9 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.554 -1.212 . . . . 0.0 111.218 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.4 29.58 4.31 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.443 1.474 . . . . 0.0 110.286 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.8 mt -149.08 -60.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.3 m -51.97 -46.51 64.83 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 118.802 0.728 . . . . 0.0 109.532 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.9 t0 . . . . . 0 C--N 1.354 0.768 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.419 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.3 p80 . . . . . 0 CA--C 1.509 -0.597 0 CA-C-O 117.852 -1.07 . . . . 0.0 108.694 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.78 52.09 0.18 Allowed 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.308 0.958 . . . . 0.0 110.338 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 t0 74.07 -59.8 0.55 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.871 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.3 -54.68 0.07 OUTLIER Glycine 0 C--N 1.354 1.545 0 CA-C-N 119.516 1.053 . . . . 0.0 111.283 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 t 57.19 37.93 28.62 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 117.769 0.785 . . . . 0.0 111.469 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -85.55 -33.02 21.84 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.379 -1.296 . . . . 0.0 109.842 174.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.2 t -45.78 -47.78 15.58 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 120.079 1.308 . . . . 0.0 111.367 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -55.71 -53.44 56.6 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.398 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.21 -23.78 62.09 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.592 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.4 ttt -76.95 -29.95 55.81 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.828 1.195 . . . . 0.0 111.787 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -87.78 -42.97 12.22 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.456 1.025 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -59.37 -41.3 88.96 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.448 1.022 . . . . 0.0 109.804 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.7 pt -54.74 -37.69 40.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 120.198 1.363 . . . . 0.0 110.951 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mp -75.32 -50.86 14.67 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 120.441 1.473 . . . . 0.0 108.881 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.52 -47.62 84.83 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.886 1.221 . . . . 0.0 110.804 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -87.56 -39.59 14.99 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.667 -1.159 . . . . 0.0 111.849 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.59 53.01 0.72 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.649 1.113 . . . . 0.0 109.58 -172.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.19 -51.62 0.03 OUTLIER 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.648 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.91 -45.43 30.74 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.534 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -113.4 44.75 1.51 Allowed 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.728 0.643 . . . . 0.0 110.813 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -148.31 25.54 0.99 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.66 168.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -116.89 -17.24 10.47 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.512 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 pt -159.95 -48.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-N 120.29 1.405 . . . . 0.0 109.745 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -40.52 -39.26 0.99 Allowed 'General case' 0 C--N 1.364 1.198 0 CA-C-N 120.322 1.419 . . . . 0.0 113.323 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -40.55 20.33 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 119.18 0.9 . . . . 0.0 108.645 -177.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.93 -8.76 47.37 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.971 -1.49 . . . . 0.0 111.768 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -37.73 -49.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.074 0 CA-C-N 121.195 1.816 . . . . 0.0 113.077 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -139.04 24.31 2.56 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.065 1.757 . . . . 0.0 111.913 171.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.9 m -88.83 -39.1 14.1 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.406 1.457 . . . . 0.0 108.946 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -122.73 28.53 7.26 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 119.655 1.116 . . . . 0.0 110.544 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.5 mt -122.05 -59.42 2.43 Favored 'Isoleucine or valine' 0 C--N 1.36 1.034 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.1 m -57.9 -26.3 61.98 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 117.33 -1.319 . . . . 0.0 110.793 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.6 t0 . . . . . 0 C--N 1.357 0.92 0 CA-C-N 119.984 1.265 . . . . 0.0 107.899 178.498 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 . . . . . 0 CA--C 1.511 -0.534 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.49 -59.78 2.76 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -170.96 -66.11 0.02 OUTLIER 'General case' 0 C--N 1.355 0.819 0 CA-C-N 118.667 0.667 . . . . 0.0 110.598 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.59 64.38 0.01 OUTLIER Glycine 0 C--N 1.355 1.597 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -162.33 57.48 0.23 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.97 -48.74 75.26 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 -176.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.5 t -46.87 -47.22 21.4 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 118.896 -0.573 . . . . 0.0 112.024 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.46 -51.52 64.73 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.89 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.27 -38.53 90.58 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.981 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.4 ttm -60.12 -22.0 62.27 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.537 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -81.59 -41.08 22.06 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.889 1.222 . . . . 0.0 110.299 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 p -61.24 -43.83 98.24 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.351 0.978 . . . . 0.0 110.169 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 pt -53.3 -36.47 26.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.664 1.12 . . . . 0.0 110.013 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tt -80.11 -55.21 5.1 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.06 -51.52 63.82 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.188 0.904 . . . . 0.0 111.288 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -80.76 -42.2 22.21 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 117.999 -1.0 . . . . 0.0 111.368 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.98 52.03 0.75 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-N 119.138 0.881 . . . . 0.0 110.247 -170.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.78 -53.6 0.04 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.861 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.93 -36.88 29.47 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 119.088 0.858 . . . . 0.0 109.044 172.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -44.83 -44.41 9.46 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 118.484 -0.769 . . . . 0.0 109.651 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -73.95 60.74 0.76 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.049 1.295 . . . . 0.0 112.158 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 175.08 103.59 0.01 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 175.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.5 mm 65.56 34.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 119.533 1.06 . . . . 0.0 110.024 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.86 -58.77 0.07 Allowed 'General case' 0 C--N 1.358 0.96 0 CA-C-N 118.836 0.744 . . . . 0.0 110.504 170.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -18.6 60.42 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.646 1.112 . . . . 0.0 111.643 177.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.9 tp -104.91 -48.03 3.86 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.446 -1.74 . . . . 0.0 109.908 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 tp -87.81 -25.07 6.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 CA-C-N 121.147 1.794 . . . . 0.0 113.039 -175.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -112.49 73.77 0.83 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.217 1.371 . . . . 0.0 107.673 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.9 -68.4 0.22 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -122.0 35.24 4.94 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.084 0.856 . . . . 0.0 109.101 177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 mt -136.58 -63.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.831 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -173.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 91.4 m -56.19 -43.63 78.65 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.221 0.919 . . . . 0.0 109.13 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 C--N 1.356 0.873 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.778 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.31 80.68 0.21 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 75.89 10.31 3.26 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 117.398 -1.287 . . . . 0.0 111.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.98 33.86 2.27 Favored Glycine 0 C--N 1.358 1.775 0 CA-C-N 119.953 1.251 . . . . 0.0 110.866 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -155.22 44.97 0.48 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.54 1.17 . . . . 0.0 109.665 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -76.43 -35.84 58.31 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.403 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.7 t -47.32 -46.87 25.61 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.246 0.93 . . . . 0.0 111.654 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.0 -50.76 65.89 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.059 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.55 -37.86 87.92 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.573 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 ttt -60.76 -21.79 63.39 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.557 -0.735 . . . . 0.0 111.392 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -83.72 -41.26 17.87 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.634 1.106 . . . . 0.0 110.309 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -60.02 -40.25 88.64 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.869 -178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 pt -55.74 -38.42 50.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-N 120.073 1.306 . . . . 0.0 110.206 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.89 -58.67 3.26 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.465 1.484 . . . . 0.0 107.999 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -54.15 -52.94 59.52 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.499 -172.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -88.3 -19.01 27.29 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 116.527 -1.701 . . . . 0.0 112.885 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.43 43.52 2.87 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 121.452 1.933 . . . . 0.0 110.403 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.51 -60.08 0.19 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.14 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.453 ' O ' ' ND2' ' A' ' 24' ' ' ASN . . . -76.83 3.51 11.77 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 116.076 -1.916 . . . . 0.0 112.602 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -105.89 -25.21 12.23 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.292 1.86 . . . . 0.0 112.785 171.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.14 57.44 0.61 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.339 1.881 . . . . 0.0 108.226 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.62 -61.98 0.24 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.27 46.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 123.378 0.424 . . . . 0.0 111.6 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -152.63 45.25 0.7 Allowed 'General case' 0 C--N 1.36 1.051 0 CA-C-N 118.959 0.8 . . . . 0.0 110.209 178.04 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.1 -47.63 0.01 OUTLIER 'General case' 0 C--N 1.35 0.59 0 CA-C-O 118.72 -0.657 . . . . 0.0 109.23 -166.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -100.09 -17.65 17.35 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 115.145 -2.359 . . . . 0.0 110.941 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -113.91 -46.41 4.94 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 0 CA-C-N 122.757 2.526 . . . . 0.0 111.94 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -108.49 50.12 0.79 Allowed 'General case' 0 C--N 1.364 1.216 0 CA-C-N 122.851 2.569 . . . . 0.0 110.915 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.8 m -151.92 -69.85 0.16 Allowed 'General case' 0 C--N 1.354 0.763 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.708 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -87.55 -1.4 57.92 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.38 -1.295 . . . . 0.0 111.741 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 mm -99.55 -54.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 CA-C-N 120.257 1.389 . . . . 0.0 108.914 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.4 m -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.355 0.811 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 176.347 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 . . . . . 0 CA--C 1.512 -0.514 0 CA-C-O 118.847 -0.597 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.14 -57.26 0.2 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.29 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t70 64.93 41.72 4.65 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.243 0.929 . . . . 0.0 109.288 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.3 40.66 99.24 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.053 -1.415 . . . . 0.0 112.065 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -146.53 51.38 1.12 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 119.205 1.502 . . . . 0.0 109.589 175.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -58.41 -35.77 72.55 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.18 -0.914 . . . . 0.0 109.56 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.7 t -49.06 -46.64 44.74 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 118.792 0.724 . . . . 0.0 111.01 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -50.92 -49.83 58.87 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.916 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -67.77 -40.14 84.06 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.439 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 ttt -57.61 -28.55 63.75 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 118.568 0.622 . . . . 0.0 110.875 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -81.63 -42.31 20.19 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.222 0.919 . . . . 0.0 110.431 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.6 p -63.22 -42.9 99.32 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.072 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -53.58 -34.12 23.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-N 120.102 1.319 . . . . 0.0 110.217 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -79.53 -58.85 2.99 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.44 -49.98 66.23 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-N 119.272 0.942 . . . . 0.0 111.588 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -82.4 -43.22 17.61 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.422 -173.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.37 55.2 0.72 Allowed 'General case' 0 C--N 1.358 0.935 0 CA-C-N 119.3 0.954 . . . . 0.0 109.692 -171.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.33 -52.72 0.03 OUTLIER 'General case' 0 C--N 1.356 0.851 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.114 177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.62 -46.99 58.49 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 118.11 -0.948 . . . . 0.0 108.528 174.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -96.62 45.9 1.06 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.07 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.42 24.11 0.9 Allowed 'General case' 0 C--N 1.357 0.919 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 175.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -114.18 1.02 14.42 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 120.393 1.451 . . . . 0.0 112.171 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -154.85 -73.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 -177.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -25.05 -83.93 0.0 OUTLIER 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.427 -1.273 . . . . 0.0 114.131 172.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -37.7 0.35 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 122.264 2.302 . . . . 0.0 113.846 175.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -31.28 61.13 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 116.956 -1.497 . . . . 0.0 112.233 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.5 tt -107.49 -56.65 4.69 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 CA-C-N 120.939 1.7 . . . . 0.0 110.198 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -53.79 54.39 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 119.277 0.944 . . . . 0.0 108.897 -171.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -109.87 66.39 0.63 Allowed 'General case' 0 C--N 1.357 0.924 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -177.23 -61.54 0.01 OUTLIER 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.3 mt -91.78 -59.26 3.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.3 m -66.09 -43.09 88.31 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.143 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 C--N 1.355 0.825 0 CA-C-N 119.02 0.827 . . . . 0.0 110.821 -177.896 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.1 p80 . . . . . 0 CA--C 1.511 -0.547 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.46 51.53 16.61 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 118.044 0.383 . . . . 0.0 111.365 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.73 -55.25 28.43 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.34 65.72 0.04 OUTLIER Glycine 0 C--N 1.353 1.495 0 C-N-CA 119.851 -1.166 . . . . 0.0 111.375 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m 48.01 38.58 9.67 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 117.677 0.738 . . . . 0.0 110.304 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -85.57 -49.29 8.15 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.6 t -45.95 -46.08 15.96 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.838 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -51.51 -51.67 53.25 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 119.916 -0.713 . . . . 0.0 110.148 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -44.89 95.2 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.9 ttt -56.58 -25.2 51.85 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.956 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.11 -43.04 14.22 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.358 0.981 . . . . 0.0 110.633 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -62.17 -43.08 99.64 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.438 1.017 . . . . 0.0 109.959 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -52.36 -35.8 20.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 CA-C-N 119.773 1.17 . . . . 0.0 110.076 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.96 -51.79 7.71 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.12 -52.52 64.97 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.402 1.001 . . . . 0.0 110.943 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -82.08 -42.68 18.87 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.712 -1.137 . . . . 0.0 111.593 -172.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.11 51.76 0.82 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.365 0.984 . . . . 0.0 110.312 -172.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.18 -55.98 0.03 OUTLIER 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.965 -0.541 . . . . 0.0 109.86 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.01 83.56 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -49.23 -38.08 25.34 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.285 0.948 . . . . 0.0 111.009 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -59.88 -18.29 43.4 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 116.582 -1.675 . . . . 0.0 113.609 -178.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 99.1 m-85 -134.17 142.51 47.46 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.082 1.765 . . . . 0.0 111.198 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.3 mm 66.36 31.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-N 119.966 1.257 . . . . 0.0 110.262 -174.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -163.98 -59.34 0.04 OUTLIER 'General case' 0 C--N 1.354 0.79 0 O-C-N 121.56 -0.713 . . . . 0.0 110.386 176.248 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -31.04 51.81 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.461 -1.257 . . . . 0.0 114.198 -173.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -136.6 46.05 2.26 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -150.18 -54.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.129 -174.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -112.33 56.63 0.66 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.14 -59.41 0.42 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 118.566 -0.73 . . . . 0.0 109.819 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -103.77 21.02 16.97 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.134 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.6 mt -123.75 -58.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-N 119.232 0.924 . . . . 0.0 108.619 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 m -55.86 -37.57 68.94 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.162 0.892 . . . . 0.0 109.358 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--N 1.354 0.776 0 CA-C-N 118.67 0.668 . . . . 0.0 109.29 177.725 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.476 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.49 172.73 16.7 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.099 0.863 . . . . 0.0 111.32 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.86 132.25 8.29 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.56 -1.21 . . . . 0.0 108.896 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.65 -10.78 73.48 Favored Glycine 0 C--N 1.357 1.745 0 CA-C-O 117.203 -1.887 . . . . 0.0 113.269 -176.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t 49.7 37.46 12.97 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.695 2.248 . . . . 0.0 111.538 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.3 -39.6 18.99 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.0 t -39.18 -46.45 1.48 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.371 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.42 -48.31 79.46 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.35 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.36 -51.15 71.14 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.768 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.7 mtt -54.14 -34.38 60.22 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.603 1.092 . . . . 0.0 111.872 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -84.19 -38.47 20.56 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.715 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -68.33 -45.8 71.93 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 120.166 1.348 . . . . 0.0 109.237 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -54.91 -36.21 37.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 119.932 1.242 . . . . 0.0 110.207 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -56.02 4.52 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.34 -53.92 52.64 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 118.717 0.69 . . . . 0.0 111.057 -178.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -76.49 -46.17 27.89 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.936 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.38 54.22 0.76 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.123 0.874 . . . . 0.0 110.451 -169.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.0 -50.75 0.03 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.087 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.41 -42.38 31.91 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.163 0.892 . . . . 0.0 109.053 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -62.49 -28.83 70.11 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.307 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.44 57.7 1.23 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 119.915 1.234 . . . . 0.0 111.018 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -173.55 86.33 0.05 Allowed 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.273 9.1 mm 75.58 26.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.966 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.6 48.57 0.59 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.632 1.56 . . . . 0.0 109.315 174.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.0 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.351 0.672 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -168.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.2 tp -78.02 -29.87 49.7 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 119.136 -0.459 . . . . 0.0 109.907 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 pp -41.43 -40.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-O 116.428 -1.749 . . . . 0.0 115.016 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -114.4 58.94 0.69 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 121.986 2.175 . . . . 0.0 107.386 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.9 m -153.53 -58.26 0.13 Allowed 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.165 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -104.07 38.54 1.82 Allowed 'General case' 0 C--N 1.357 0.929 0 CA-C-N 119.438 1.017 . . . . 0.0 108.934 176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mt -140.88 -62.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.4 m -54.82 -33.31 61.46 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.478 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 C--N 1.355 0.841 0 CA-C-N 118.839 0.745 . . . . 0.0 111.69 178.042 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.6 ttt . . . . . 0 CA--C 1.514 -0.429 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -81.09 -41.9 21.82 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.67 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 p -62.53 -39.15 92.65 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.857 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.34 -27.68 28.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-N 120.361 1.437 . . . . 0.0 110.644 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -84.04 -55.18 4.35 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.321 1.419 . . . . 0.0 107.443 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.19 -50.4 71.31 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.408 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -82.94 -43.23 16.7 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.473 -1.251 . . . . 0.0 111.239 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.21 50.88 0.8 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 119.551 1.068 . . . . 0.0 110.33 -172.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.55 -56.4 0.05 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.353 -0.832 . . . . 0.0 109.521 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.802 0 CA-C-N 119.505 1.048 . . . . 0.0 110.243 175.18 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 43.3 ttm . . . . . 0 CA--C 1.514 -0.417 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -89.75 -35.6 15.65 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.353 0.979 . . . . 0.0 112.005 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -66.19 -39.26 89.54 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.945 1.248 . . . . 0.0 109.167 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 pt -59.02 -40.32 80.41 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 CA-C-N 120.239 1.381 . . . . 0.0 111.105 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -75.5 -37.86 59.86 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 121.004 1.729 . . . . 0.0 109.491 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.73 -50.66 28.16 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.967 1.258 . . . . 0.0 109.535 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -81.76 -39.4 24.18 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 117.864 -1.065 . . . . 0.0 111.517 -173.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.23 55.16 0.66 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.254 0.933 . . . . 0.0 109.954 -171.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.67 -52.97 0.03 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.55 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.822 0 CA-C-O 118.309 -0.853 . . . . 0.0 109.366 175.208 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.513 -0.464 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -89.03 -41.14 12.51 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.053 0.842 . . . . 0.0 111.256 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 p -61.63 -36.85 81.96 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.575 1.08 . . . . 0.0 110.115 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -60.09 -36.35 67.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-N 120.337 1.426 . . . . 0.0 110.037 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.39 -52.64 10.28 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.965 1.257 . . . . 0.0 108.558 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.42 -48.19 82.84 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.856 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -86.15 -38.19 17.97 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.736 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.37 52.45 0.71 Allowed 'General case' 0 C--N 1.358 0.965 0 CA-C-N 119.428 1.013 . . . . 0.0 109.859 -171.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.09 -54.3 0.03 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.122 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.901 0 CA-C-O 117.43 -1.272 . . . . 0.0 109.3 174.558 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.1 ttp . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -88.4 -41.83 12.56 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.054 1.297 . . . . 0.0 110.52 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -60.43 -35.63 76.26 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.506 1.048 . . . . 0.0 110.637 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -57.98 -33.98 47.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-N 120.38 1.445 . . . . 0.0 110.317 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -85.62 -44.98 12.15 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.665 1.12 . . . . 0.0 108.032 -175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.59 -48.64 78.55 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.078 1.308 . . . . 0.0 110.637 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -86.34 -39.84 16.04 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 117.896 -1.049 . . . . 0.0 111.998 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 54.33 0.71 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.373 0.988 . . . . 0.0 109.425 -172.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.64 -54.59 0.03 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.199 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.851 0 CA-C-O 117.492 -1.242 . . . . 0.0 109.486 175.02 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.112 -0.947 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -87.78 -42.97 12.22 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.456 1.025 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -59.37 -41.3 88.96 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.448 1.022 . . . . 0.0 109.804 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.7 pt -54.74 -37.69 40.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 120.198 1.363 . . . . 0.0 110.951 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mp -75.32 -50.86 14.67 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 120.441 1.473 . . . . 0.0 108.881 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.52 -47.62 84.83 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.886 1.221 . . . . 0.0 110.804 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -87.56 -39.59 14.99 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.667 -1.159 . . . . 0.0 111.849 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.59 53.01 0.72 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.649 1.113 . . . . 0.0 109.58 -172.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.19 -51.62 0.03 OUTLIER 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.648 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.874 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.534 174.317 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.4 ttm . . . . . 0 CA--C 1.513 -0.448 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -81.59 -41.08 22.06 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.889 1.222 . . . . 0.0 110.299 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 p -61.24 -43.83 98.24 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.351 0.978 . . . . 0.0 110.169 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 pt -53.3 -36.47 26.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.664 1.12 . . . . 0.0 110.013 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tt -80.11 -55.21 5.1 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.06 -51.52 63.82 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.188 0.904 . . . . 0.0 111.288 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -80.76 -42.2 22.21 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 117.999 -1.0 . . . . 0.0 111.368 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.98 52.03 0.75 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-N 119.138 0.881 . . . . 0.0 110.247 -170.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.78 -53.6 0.04 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.861 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.91 0 CA-C-N 119.088 0.858 . . . . 0.0 109.044 172.552 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.557 -0.735 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -83.72 -41.26 17.87 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.634 1.106 . . . . 0.0 110.309 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -60.02 -40.25 88.64 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.869 -178.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 pt -55.74 -38.42 50.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-N 120.073 1.306 . . . . 0.0 110.206 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.89 -58.67 3.26 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.465 1.484 . . . . 0.0 107.999 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -54.15 -52.94 59.52 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.499 -172.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.3 -19.01 27.29 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 116.527 -1.701 . . . . 0.0 112.885 -173.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.43 43.52 2.87 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 121.452 1.933 . . . . 0.0 110.403 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.51 -60.08 0.19 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.14 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.897 0 CA-C-O 116.076 -1.916 . . . . 0.0 112.602 175.788 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 ttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.984 -0.532 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -81.63 -42.31 20.19 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.222 0.919 . . . . 0.0 110.431 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.6 p -63.22 -42.9 99.32 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.072 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -53.58 -34.12 23.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-N 120.102 1.319 . . . . 0.0 110.217 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -79.53 -58.85 2.99 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.44 -49.98 66.23 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-N 119.272 0.942 . . . . 0.0 111.588 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -82.4 -43.22 17.61 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.422 -173.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.37 55.2 0.72 Allowed 'General case' 0 C--N 1.358 0.935 0 CA-C-N 119.3 0.954 . . . . 0.0 109.692 -171.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.33 -52.72 0.03 OUTLIER 'General case' 0 C--N 1.356 0.851 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.114 177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.901 0 CA-C-O 118.11 -0.948 . . . . 0.0 108.528 174.137 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.9 ttt . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.11 -43.04 14.22 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.358 0.981 . . . . 0.0 110.633 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -62.17 -43.08 99.64 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.438 1.017 . . . . 0.0 109.959 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -52.36 -35.8 20.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 CA-C-N 119.773 1.17 . . . . 0.0 110.076 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.96 -51.79 7.71 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.12 -52.52 64.97 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.402 1.001 . . . . 0.0 110.943 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -82.08 -42.68 18.87 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.712 -1.137 . . . . 0.0 111.593 -172.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.11 51.76 0.82 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.365 0.984 . . . . 0.0 110.312 -172.148 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.18 -55.98 0.03 OUTLIER 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.965 -0.541 . . . . 0.0 109.86 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.875 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.527 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.7 mtt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -84.19 -38.47 20.56 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.715 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -68.33 -45.8 71.93 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 120.166 1.348 . . . . 0.0 109.237 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -54.91 -36.21 37.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 119.932 1.242 . . . . 0.0 110.207 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -56.02 4.52 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.34 -53.92 52.64 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 118.717 0.69 . . . . 0.0 111.057 -178.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -76.49 -46.17 27.89 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.936 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.38 54.22 0.76 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.123 0.874 . . . . 0.0 110.451 -169.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.0 -50.75 0.03 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.087 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.814 0 CA-C-N 119.163 0.892 . . . . 0.0 109.053 172.327 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 59.8 m80 . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.26 -62.61 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -150.53 -67.23 0.19 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.62 -19.53 70.79 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-O 117.602 -1.665 . . . . 0.0 112.391 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t 56.5 37.72 29.05 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.8 1.8 . . . . 0.0 110.232 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -88.48 -34.27 17.51 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.296 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.9 t -49.1 -47.03 45.57 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.533 1.06 . . . . 0.0 111.178 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -51.54 -58.39 6.44 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.645 -176.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -60.57 -37.25 80.68 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.192 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.6 ttt -60.96 -30.0 69.99 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.699 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -81.09 -41.9 21.82 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.67 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 p -62.53 -39.15 92.65 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.857 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.34 -27.68 28.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-N 120.361 1.437 . . . . 0.0 110.644 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -84.04 -55.18 4.35 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.321 1.419 . . . . 0.0 107.443 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.19 -50.4 71.31 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.408 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -82.94 -43.23 16.7 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.473 -1.251 . . . . 0.0 111.239 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.21 50.88 0.8 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 119.551 1.068 . . . . 0.0 110.33 -172.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.55 -56.4 0.05 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.353 -0.832 . . . . 0.0 109.521 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.9 -44.68 60.01 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.505 1.048 . . . . 0.0 110.243 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp85 -95.11 10.47 35.7 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.724 -1.131 . . . . 0.0 112.887 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -134.21 25.7 3.86 Favored 'General case' 0 C--N 1.357 0.93 0 CA-C-N 120.033 1.288 . . . . 0.0 112.114 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.14 -45.78 3.04 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 119.536 1.062 . . . . 0.0 109.509 174.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.97 28.81 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 120.29 1.404 . . . . 0.0 111.567 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -135.66 40.13 2.79 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 119.555 1.071 . . . . 0.0 110.492 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.7 -41.78 0.03 OUTLIER 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.554 -1.212 . . . . 0.0 113.85 -176.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.7 mt -129.71 51.62 2.06 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 172.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -171.56 -47.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-O 117.442 -1.266 . . . . 0.0 110.167 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -50.36 -34.77 25.23 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 120.878 1.672 . . . . 0.0 109.766 176.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -44.04 11.61 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.187 0.903 . . . . 0.0 110.756 173.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.44 32.05 0.8 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.942 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -143.0 -60.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-N 119.8 1.182 . . . . 0.0 107.932 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -45.54 -33.71 2.9 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 117.992 -1.004 . . . . 0.0 111.192 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 p30 . . . . . 0 C--N 1.356 0.857 0 CA-C-N 119.127 0.876 . . . . 0.0 109.082 178.876 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.3 m80 . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.44 60.95 1.69 Allowed 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.04 -60.15 3.83 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.78 -49.29 1.1 Allowed Glycine 0 C--N 1.355 1.602 0 CA-C-O 118.548 -1.14 . . . . 0.0 112.711 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t 59.88 37.38 21.71 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.665 1.232 . . . . 0.0 110.312 -173.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -71.65 -36.61 70.74 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.347 -0.835 . . . . 0.0 108.848 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.2 t -46.03 -45.75 16.2 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.549 0.613 . . . . 0.0 111.322 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.76 -51.7 67.88 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.342 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -74.11 -15.72 61.04 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.702 -1.142 . . . . 0.0 111.715 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 43.3 ttm -82.1 -29.21 31.86 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 120.696 1.589 . . . . 0.0 111.151 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -89.75 -35.6 15.65 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.353 0.979 . . . . 0.0 112.005 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -66.19 -39.26 89.54 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.945 1.248 . . . . 0.0 109.167 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 pt -59.02 -40.32 80.41 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 CA-C-N 120.239 1.381 . . . . 0.0 111.105 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -75.5 -37.86 59.86 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 121.004 1.729 . . . . 0.0 109.491 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.73 -50.66 28.16 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.967 1.258 . . . . 0.0 109.535 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -81.76 -39.4 24.18 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 117.864 -1.065 . . . . 0.0 111.517 -173.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.23 55.16 0.66 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.254 0.933 . . . . 0.0 109.954 -171.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.67 -52.97 0.03 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.55 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.49 61.12 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.309 -0.853 . . . . 0.0 109.366 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -100.62 36.72 1.85 Allowed 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.561 -0.733 . . . . 0.0 111.138 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -145.43 30.21 1.13 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-N 119.438 1.017 . . . . 0.0 113.108 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -107.06 -24.06 12.1 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.016 0.825 . . . . 0.0 112.272 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -151.21 -63.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.914 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.186 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -24.9 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.355 0.814 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 173.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -39.41 17.65 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 120.366 1.439 . . . . 0.0 111.157 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' ILE . 51.5 tp -68.34 -31.8 71.46 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.535 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -37.59 -37.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -130.81 60.74 1.64 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.445 1.929 . . . . 0.0 107.573 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.3 m -134.99 -61.01 0.76 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -90.04 -5.73 56.3 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.779 -1.105 . . . . 0.0 110.679 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 31' ' ' ILE . 1.9 mp -96.42 -58.97 3.43 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 CA-C-N 120.589 1.54 . . . . 0.0 107.018 -176.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.7 m -59.75 -23.0 62.87 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.336 -1.316 . . . . 0.0 111.67 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.355 0.834 0 CA-C-N 119.745 1.157 . . . . 0.0 110.779 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 . . . . . 0 CA--C 1.511 -0.525 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.21 67.45 0.42 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -55.28 -47.76 75.04 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.418 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.78 50.01 0.36 Allowed Glycine 0 C--N 1.354 1.547 0 C-N-CA 119.834 -1.175 . . . . 0.0 111.984 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m 47.39 70.16 0.44 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 117.835 0.818 . . . . 0.0 110.723 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -50.46 -47.13 57.08 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 t -47.26 -46.34 24.58 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.725 -0.655 . . . . 0.0 112.403 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -55.37 -50.69 69.05 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.869 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -67.29 -30.38 70.23 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.08 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -30.45 69.9 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.768 1.167 . . . . 0.0 111.135 -177.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -89.03 -41.14 12.51 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.053 0.842 . . . . 0.0 111.256 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 p -61.63 -36.85 81.96 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.575 1.08 . . . . 0.0 110.115 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -60.09 -36.35 67.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-N 120.337 1.426 . . . . 0.0 110.037 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.39 -52.64 10.28 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.965 1.257 . . . . 0.0 108.558 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.42 -48.19 82.84 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.856 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -86.15 -38.19 17.97 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.736 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.37 52.45 0.71 Allowed 'General case' 0 C--N 1.358 0.965 0 CA-C-N 119.428 1.013 . . . . 0.0 109.859 -171.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.09 -54.3 0.03 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.122 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.14 -40.31 58.26 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 117.43 -1.272 . . . . 0.0 109.3 174.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -115.02 56.92 0.73 Allowed 'General case' 0 C--N 1.359 1.002 0 CA-C-N 119.084 0.856 . . . . 0.0 109.809 171.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.09 33.82 0.29 Allowed 'General case' 0 C--N 1.355 0.809 0 C-N-CA 119.603 -0.839 . . . . 0.0 113.045 167.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 174.91 112.02 0.02 OUTLIER 'General case' 0 C--N 1.357 0.899 0 CA-C-O 117.18 -1.391 . . . . 0.0 107.992 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 mm 62.74 34.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 120.071 1.305 . . . . 0.0 110.145 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -159.34 -60.52 0.07 Allowed 'General case' 0 C--N 1.358 0.943 0 CA-C-N 118.801 0.728 . . . . 0.0 110.04 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -24.44 67.79 Favored 'General case' 0 C--N 1.357 0.93 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.714 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -110.43 -1.66 16.96 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 117.757 -1.116 . . . . 0.0 111.493 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.37 -54.81 3.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 CA-C-N 120.29 1.405 . . . . 0.0 109.584 -172.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -70.49 -25.14 63.02 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.24 0.927 . . . . 0.0 109.486 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.3 p -86.3 -10.95 53.51 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 116.882 -1.532 . . . . 0.0 113.59 -175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -137.97 32.89 2.4 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-N 120.768 1.622 . . . . 0.0 111.755 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.8 mt -148.28 -58.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.982 0 CA-C-N 118.91 0.777 . . . . 0.0 109.358 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.0 m -59.4 -26.59 65.26 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.647 -1.168 . . . . 0.0 110.863 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--N 1.356 0.889 0 CA-C-N 119.834 1.197 . . . . 0.0 108.2 179.361 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 CA--C 1.509 -0.598 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.48 -51.31 44.78 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.006 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -162.08 -64.39 0.05 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.285 -175.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.41 -55.95 0.54 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 m -143.61 57.78 1.37 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -46.9 88.73 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.5 t -44.74 -53.67 7.1 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.708 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.82 -50.65 60.43 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.456 1.026 . . . . 0.0 109.699 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -65.69 -34.82 79.09 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.769 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.1 ttp -69.45 -18.69 63.75 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.351 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -88.4 -41.83 12.56 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.054 1.297 . . . . 0.0 110.52 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -60.43 -35.63 76.26 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.506 1.048 . . . . 0.0 110.637 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -57.98 -33.98 47.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-N 120.38 1.445 . . . . 0.0 110.317 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -85.62 -44.98 12.15 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.665 1.12 . . . . 0.0 108.032 -175.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.59 -48.64 78.55 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.078 1.308 . . . . 0.0 110.637 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -86.34 -39.84 16.04 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 117.896 -1.049 . . . . 0.0 111.998 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 54.33 0.71 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.373 0.988 . . . . 0.0 109.425 -172.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.64 -54.59 0.03 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.199 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.96 -37.95 54.79 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.492 -1.242 . . . . 0.0 109.486 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -118.51 52.85 1.01 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.875 0.762 . . . . 0.0 109.948 174.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -156.23 33.8 0.33 Allowed 'General case' 0 C--N 1.355 0.829 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 168.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 174.53 112.79 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.236 -1.364 . . . . 0.0 107.908 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm 63.19 32.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 120.471 1.487 . . . . 0.0 109.97 -177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -158.22 -62.32 0.08 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.87 0.759 . . . . 0.0 109.79 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -19.44 65.89 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 117.527 -1.225 . . . . 0.0 112.684 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 tp -122.02 32.54 5.79 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 119.61 1.095 . . . . 0.0 108.264 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -158.09 -56.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-N 119.051 0.841 . . . . 0.0 109.685 -172.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -72.07 -43.48 64.81 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 173.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.6 m -83.52 -32.43 25.9 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.554 -1.212 . . . . 0.0 111.218 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.4 29.58 4.31 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.443 1.474 . . . . 0.0 110.286 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.8 mt -149.08 -60.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.3 m -51.97 -46.51 64.83 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 118.802 0.728 . . . . 0.0 109.532 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.9 t0 . . . . . 0 C--N 1.354 0.768 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.419 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.3 p80 . . . . . 0 CA--C 1.509 -0.597 0 CA-C-O 117.852 -1.07 . . . . 0.0 108.694 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.78 52.09 0.18 Allowed 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.308 0.958 . . . . 0.0 110.338 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 t0 74.07 -59.8 0.55 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.871 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.3 -54.68 0.07 OUTLIER Glycine 0 C--N 1.354 1.545 0 CA-C-N 119.516 1.053 . . . . 0.0 111.283 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 t 57.19 37.93 28.62 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 117.769 0.785 . . . . 0.0 111.469 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -85.55 -33.02 21.84 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.379 -1.296 . . . . 0.0 109.842 174.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.2 t -45.78 -47.78 15.58 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 120.079 1.308 . . . . 0.0 111.367 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -55.71 -53.44 56.6 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.398 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.21 -23.78 62.09 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.592 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.4 ttt -76.95 -29.95 55.81 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.828 1.195 . . . . 0.0 111.787 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -87.78 -42.97 12.22 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.456 1.025 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -59.37 -41.3 88.96 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.448 1.022 . . . . 0.0 109.804 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.7 pt -54.74 -37.69 40.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 120.198 1.363 . . . . 0.0 110.951 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mp -75.32 -50.86 14.67 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 120.441 1.473 . . . . 0.0 108.881 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.52 -47.62 84.83 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.886 1.221 . . . . 0.0 110.804 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -87.56 -39.59 14.99 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.667 -1.159 . . . . 0.0 111.849 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.59 53.01 0.72 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.649 1.113 . . . . 0.0 109.58 -172.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.19 -51.62 0.03 OUTLIER 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.648 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.91 -45.43 30.74 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.534 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -113.4 44.75 1.51 Allowed 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.728 0.643 . . . . 0.0 110.813 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -148.31 25.54 0.99 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.66 168.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -116.89 -17.24 10.47 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.512 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 pt -159.95 -48.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-N 120.29 1.405 . . . . 0.0 109.745 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -40.52 -39.26 0.99 Allowed 'General case' 0 C--N 1.364 1.198 0 CA-C-N 120.322 1.419 . . . . 0.0 113.323 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -40.55 20.33 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 119.18 0.9 . . . . 0.0 108.645 -177.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.93 -8.76 47.37 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.971 -1.49 . . . . 0.0 111.768 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -37.73 -49.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.074 0 CA-C-N 121.195 1.816 . . . . 0.0 113.077 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -139.04 24.31 2.56 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.065 1.757 . . . . 0.0 111.913 171.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.9 m -88.83 -39.1 14.1 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.406 1.457 . . . . 0.0 108.946 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -122.73 28.53 7.26 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 119.655 1.116 . . . . 0.0 110.544 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.5 mt -122.05 -59.42 2.43 Favored 'Isoleucine or valine' 0 C--N 1.36 1.034 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.1 m -57.9 -26.3 61.98 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 117.33 -1.319 . . . . 0.0 110.793 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.6 t0 . . . . . 0 C--N 1.357 0.92 0 CA-C-N 119.984 1.265 . . . . 0.0 107.899 178.498 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 . . . . . 0 CA--C 1.511 -0.534 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.49 -59.78 2.76 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -170.96 -66.11 0.02 OUTLIER 'General case' 0 C--N 1.355 0.819 0 CA-C-N 118.667 0.667 . . . . 0.0 110.598 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.59 64.38 0.01 OUTLIER Glycine 0 C--N 1.355 1.597 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -162.33 57.48 0.23 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.97 -48.74 75.26 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 -176.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.5 t -46.87 -47.22 21.4 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 118.896 -0.573 . . . . 0.0 112.024 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.46 -51.52 64.73 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.89 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.27 -38.53 90.58 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.981 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.4 ttm -60.12 -22.0 62.27 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.537 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -81.59 -41.08 22.06 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.889 1.222 . . . . 0.0 110.299 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 p -61.24 -43.83 98.24 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.351 0.978 . . . . 0.0 110.169 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 pt -53.3 -36.47 26.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.664 1.12 . . . . 0.0 110.013 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tt -80.11 -55.21 5.1 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.06 -51.52 63.82 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.188 0.904 . . . . 0.0 111.288 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -80.76 -42.2 22.21 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 117.999 -1.0 . . . . 0.0 111.368 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.98 52.03 0.75 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-N 119.138 0.881 . . . . 0.0 110.247 -170.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.78 -53.6 0.04 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.861 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.93 -36.88 29.47 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 119.088 0.858 . . . . 0.0 109.044 172.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -44.83 -44.41 9.46 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 118.484 -0.769 . . . . 0.0 109.651 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -73.95 60.74 0.76 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.049 1.295 . . . . 0.0 112.158 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 175.08 103.59 0.01 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 175.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.5 mm 65.56 34.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 119.533 1.06 . . . . 0.0 110.024 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -158.86 -58.77 0.07 Allowed 'General case' 0 C--N 1.358 0.96 0 CA-C-N 118.836 0.744 . . . . 0.0 110.504 170.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -18.6 60.42 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.646 1.112 . . . . 0.0 111.643 177.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.9 tp -104.91 -48.03 3.86 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.446 -1.74 . . . . 0.0 109.908 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 tp -87.81 -25.07 6.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 CA-C-N 121.147 1.794 . . . . 0.0 113.039 -175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -112.49 73.77 0.83 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.217 1.371 . . . . 0.0 107.673 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.9 -68.4 0.22 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -122.0 35.24 4.94 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.084 0.856 . . . . 0.0 109.101 177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 mt -136.58 -63.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.831 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -173.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 91.4 m -56.19 -43.63 78.65 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.221 0.919 . . . . 0.0 109.13 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 C--N 1.356 0.873 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.778 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.31 80.68 0.21 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 75.89 10.31 3.26 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 117.398 -1.287 . . . . 0.0 111.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.98 33.86 2.27 Favored Glycine 0 C--N 1.358 1.775 0 CA-C-N 119.953 1.251 . . . . 0.0 110.866 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -155.22 44.97 0.48 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.54 1.17 . . . . 0.0 109.665 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -76.43 -35.84 58.31 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.403 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.7 t -47.32 -46.87 25.61 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.246 0.93 . . . . 0.0 111.654 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.0 -50.76 65.89 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.059 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.55 -37.86 87.92 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.573 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 ttt -60.76 -21.79 63.39 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.557 -0.735 . . . . 0.0 111.392 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -83.72 -41.26 17.87 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.634 1.106 . . . . 0.0 110.309 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -60.02 -40.25 88.64 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.869 -178.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 pt -55.74 -38.42 50.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-N 120.073 1.306 . . . . 0.0 110.206 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.89 -58.67 3.26 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.465 1.484 . . . . 0.0 107.999 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -54.15 -52.94 59.52 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.499 -172.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.3 -19.01 27.29 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 116.527 -1.701 . . . . 0.0 112.885 -173.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.43 43.52 2.87 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 121.452 1.933 . . . . 0.0 110.403 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.51 -60.08 0.19 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.14 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.83 3.51 11.77 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 116.076 -1.916 . . . . 0.0 112.602 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -105.89 -25.21 12.23 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.292 1.86 . . . . 0.0 112.785 171.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.14 57.44 0.61 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.339 1.881 . . . . 0.0 108.226 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.62 -61.98 0.24 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.27 46.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 123.378 0.424 . . . . 0.0 111.6 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.63 45.25 0.7 Allowed 'General case' 0 C--N 1.36 1.051 0 CA-C-N 118.959 0.8 . . . . 0.0 110.209 178.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.1 -47.63 0.01 OUTLIER 'General case' 0 C--N 1.35 0.59 0 CA-C-O 118.72 -0.657 . . . . 0.0 109.23 -166.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -100.09 -17.65 17.35 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 115.145 -2.359 . . . . 0.0 110.941 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -113.91 -46.41 4.94 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 0 CA-C-N 122.757 2.526 . . . . 0.0 111.94 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -108.49 50.12 0.79 Allowed 'General case' 0 C--N 1.364 1.216 0 CA-C-N 122.851 2.569 . . . . 0.0 110.915 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.8 m -151.92 -69.85 0.16 Allowed 'General case' 0 C--N 1.354 0.763 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.708 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -87.55 -1.4 57.92 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.38 -1.295 . . . . 0.0 111.741 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 mm -99.55 -54.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 CA-C-N 120.257 1.389 . . . . 0.0 108.914 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.4 m -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.355 0.811 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 176.347 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 . . . . . 0 CA--C 1.512 -0.514 0 CA-C-O 118.847 -0.597 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.14 -57.26 0.2 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.29 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t70 64.93 41.72 4.65 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.243 0.929 . . . . 0.0 109.288 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.3 40.66 99.24 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.053 -1.415 . . . . 0.0 112.065 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -146.53 51.38 1.12 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 119.205 1.502 . . . . 0.0 109.589 175.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -58.41 -35.77 72.55 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.18 -0.914 . . . . 0.0 109.56 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.7 t -49.06 -46.64 44.74 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 118.792 0.724 . . . . 0.0 111.01 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -50.92 -49.83 58.87 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.916 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -67.77 -40.14 84.06 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.439 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 ttt -57.61 -28.55 63.75 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 118.568 0.622 . . . . 0.0 110.875 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -81.63 -42.31 20.19 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.222 0.919 . . . . 0.0 110.431 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.6 p -63.22 -42.9 99.32 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.072 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -53.58 -34.12 23.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-N 120.102 1.319 . . . . 0.0 110.217 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -79.53 -58.85 2.99 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.44 -49.98 66.23 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-N 119.272 0.942 . . . . 0.0 111.588 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -82.4 -43.22 17.61 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.422 -173.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.37 55.2 0.72 Allowed 'General case' 0 C--N 1.358 0.935 0 CA-C-N 119.3 0.954 . . . . 0.0 109.692 -171.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.33 -52.72 0.03 OUTLIER 'General case' 0 C--N 1.356 0.851 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.114 177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.62 -46.99 58.49 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 118.11 -0.948 . . . . 0.0 108.528 174.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -96.62 45.9 1.06 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.07 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.42 24.11 0.9 Allowed 'General case' 0 C--N 1.357 0.919 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 175.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -114.18 1.02 14.42 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 120.393 1.451 . . . . 0.0 112.171 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -154.85 -73.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 -177.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -25.05 -83.93 0.0 OUTLIER 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.427 -1.273 . . . . 0.0 114.131 172.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -37.7 0.35 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 122.264 2.302 . . . . 0.0 113.846 175.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -31.28 61.13 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 116.956 -1.497 . . . . 0.0 112.233 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.5 tt -107.49 -56.65 4.69 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 CA-C-N 120.939 1.7 . . . . 0.0 110.198 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -53.79 54.39 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 119.277 0.944 . . . . 0.0 108.897 -171.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -109.87 66.39 0.63 Allowed 'General case' 0 C--N 1.357 0.924 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -177.23 -61.54 0.01 OUTLIER 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.3 mt -91.78 -59.26 3.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.3 m -66.09 -43.09 88.31 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.143 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 C--N 1.355 0.825 0 CA-C-N 119.02 0.827 . . . . 0.0 110.821 -177.896 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.1 p80 . . . . . 0 CA--C 1.511 -0.547 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.46 51.53 16.61 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 118.044 0.383 . . . . 0.0 111.365 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.73 -55.25 28.43 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.34 65.72 0.04 OUTLIER Glycine 0 C--N 1.353 1.495 0 C-N-CA 119.851 -1.166 . . . . 0.0 111.375 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m 48.01 38.58 9.67 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 117.677 0.738 . . . . 0.0 110.304 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -85.57 -49.29 8.15 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.6 t -45.95 -46.08 15.96 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.838 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -51.51 -51.67 53.25 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 119.916 -0.713 . . . . 0.0 110.148 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -44.89 95.2 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.9 ttt -56.58 -25.2 51.85 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.956 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.11 -43.04 14.22 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.358 0.981 . . . . 0.0 110.633 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -62.17 -43.08 99.64 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.438 1.017 . . . . 0.0 109.959 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -52.36 -35.8 20.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 CA-C-N 119.773 1.17 . . . . 0.0 110.076 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.96 -51.79 7.71 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.12 -52.52 64.97 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.402 1.001 . . . . 0.0 110.943 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -82.08 -42.68 18.87 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.712 -1.137 . . . . 0.0 111.593 -172.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.11 51.76 0.82 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.365 0.984 . . . . 0.0 110.312 -172.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.18 -55.98 0.03 OUTLIER 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.965 -0.541 . . . . 0.0 109.86 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.01 83.56 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -49.23 -38.08 25.34 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.285 0.948 . . . . 0.0 111.009 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -59.88 -18.29 43.4 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 116.582 -1.675 . . . . 0.0 113.609 -178.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -134.17 142.51 47.46 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.082 1.765 . . . . 0.0 111.198 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.3 mm 66.36 31.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-N 119.966 1.257 . . . . 0.0 110.262 -174.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -163.98 -59.34 0.04 OUTLIER 'General case' 0 C--N 1.354 0.79 0 O-C-N 121.56 -0.713 . . . . 0.0 110.386 176.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -31.04 51.81 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.461 -1.257 . . . . 0.0 114.198 -173.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -136.6 46.05 2.26 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -150.18 -54.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.129 -174.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -112.33 56.63 0.66 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.14 -59.41 0.42 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 118.566 -0.73 . . . . 0.0 109.819 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -103.77 21.02 16.97 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.134 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.6 mt -123.75 -58.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-N 119.232 0.924 . . . . 0.0 108.619 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 m -55.86 -37.57 68.94 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.162 0.892 . . . . 0.0 109.358 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--N 1.354 0.776 0 CA-C-N 118.67 0.668 . . . . 0.0 109.29 177.725 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.476 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.49 172.73 16.7 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.099 0.863 . . . . 0.0 111.32 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.86 132.25 8.29 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.56 -1.21 . . . . 0.0 108.896 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.65 -10.78 73.48 Favored Glycine 0 C--N 1.357 1.745 0 CA-C-O 117.203 -1.887 . . . . 0.0 113.269 -176.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t 49.7 37.46 12.97 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.695 2.248 . . . . 0.0 111.538 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.3 -39.6 18.99 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.0 t -39.18 -46.45 1.48 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.371 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.42 -48.31 79.46 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.35 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.36 -51.15 71.14 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.768 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.7 mtt -54.14 -34.38 60.22 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.603 1.092 . . . . 0.0 111.872 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -84.19 -38.47 20.56 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.715 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -68.33 -45.8 71.93 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 120.166 1.348 . . . . 0.0 109.237 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -54.91 -36.21 37.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 119.932 1.242 . . . . 0.0 110.207 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -56.02 4.52 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.34 -53.92 52.64 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 118.717 0.69 . . . . 0.0 111.057 -178.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -76.49 -46.17 27.89 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.936 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.38 54.22 0.76 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.123 0.874 . . . . 0.0 110.451 -169.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.0 -50.75 0.03 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.087 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.41 -42.38 31.91 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.163 0.892 . . . . 0.0 109.053 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -62.49 -28.83 70.11 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.307 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.44 57.7 1.23 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 119.915 1.234 . . . . 0.0 111.018 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -173.55 86.33 0.05 Allowed 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.273 9.1 mm 75.58 26.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.966 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -154.6 48.57 0.59 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.632 1.56 . . . . 0.0 109.315 174.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.0 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.351 0.672 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -168.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.2 tp -78.02 -29.87 49.7 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 119.136 -0.459 . . . . 0.0 109.907 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 pp -41.43 -40.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-O 116.428 -1.749 . . . . 0.0 115.016 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -114.4 58.94 0.69 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 121.986 2.175 . . . . 0.0 107.386 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.9 m -153.53 -58.26 0.13 Allowed 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.165 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -104.07 38.54 1.82 Allowed 'General case' 0 C--N 1.357 0.929 0 CA-C-N 119.438 1.017 . . . . 0.0 108.934 176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mt -140.88 -62.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.4 m -54.82 -33.31 61.46 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.478 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 C--N 1.355 0.841 0 CA-C-N 118.839 0.745 . . . . 0.0 111.69 178.042 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.6 ttt . . . . . 0 CA--C 1.514 -0.429 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -81.09 -41.9 21.82 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.67 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 p -62.53 -39.15 92.65 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.857 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.34 -27.68 28.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-N 120.361 1.437 . . . . 0.0 110.644 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -84.04 -55.18 4.35 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.321 1.419 . . . . 0.0 107.443 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.19 -50.4 71.31 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.408 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -82.94 -43.23 16.7 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.473 -1.251 . . . . 0.0 111.239 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.21 50.88 0.8 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 119.551 1.068 . . . . 0.0 110.33 -172.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.55 -56.4 0.05 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.353 -0.832 . . . . 0.0 109.521 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.802 0 CA-C-N 119.505 1.048 . . . . 0.0 110.243 175.18 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 43.3 ttm . . . . . 0 CA--C 1.514 -0.417 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -89.75 -35.6 15.65 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.353 0.979 . . . . 0.0 112.005 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -66.19 -39.26 89.54 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.945 1.248 . . . . 0.0 109.167 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 pt -59.02 -40.32 80.41 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 CA-C-N 120.239 1.381 . . . . 0.0 111.105 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -75.5 -37.86 59.86 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 121.004 1.729 . . . . 0.0 109.491 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.73 -50.66 28.16 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.967 1.258 . . . . 0.0 109.535 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -81.76 -39.4 24.18 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 117.864 -1.065 . . . . 0.0 111.517 -173.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.23 55.16 0.66 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.254 0.933 . . . . 0.0 109.954 -171.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.67 -52.97 0.03 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.55 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.822 0 CA-C-O 118.309 -0.853 . . . . 0.0 109.366 175.208 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.513 -0.464 0 CA-C-O 118.439 -0.791 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -89.03 -41.14 12.51 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.053 0.842 . . . . 0.0 111.256 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 p -61.63 -36.85 81.96 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.575 1.08 . . . . 0.0 110.115 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -60.09 -36.35 67.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-N 120.337 1.426 . . . . 0.0 110.037 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.39 -52.64 10.28 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.965 1.257 . . . . 0.0 108.558 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.42 -48.19 82.84 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.856 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -86.15 -38.19 17.97 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.736 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.37 52.45 0.71 Allowed 'General case' 0 C--N 1.358 0.965 0 CA-C-N 119.428 1.013 . . . . 0.0 109.859 -171.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.09 -54.3 0.03 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.122 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.901 0 CA-C-O 117.43 -1.272 . . . . 0.0 109.3 174.558 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.1 ttp . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -88.4 -41.83 12.56 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.054 1.297 . . . . 0.0 110.52 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -60.43 -35.63 76.26 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.506 1.048 . . . . 0.0 110.637 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -57.98 -33.98 47.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-N 120.38 1.445 . . . . 0.0 110.317 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -85.62 -44.98 12.15 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.665 1.12 . . . . 0.0 108.032 -175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.59 -48.64 78.55 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.078 1.308 . . . . 0.0 110.637 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -86.34 -39.84 16.04 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 117.896 -1.049 . . . . 0.0 111.998 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 54.33 0.71 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.373 0.988 . . . . 0.0 109.425 -172.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.64 -54.59 0.03 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.199 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.851 0 CA-C-O 117.492 -1.242 . . . . 0.0 109.486 175.02 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.112 -0.947 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -87.78 -42.97 12.22 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.456 1.025 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -59.37 -41.3 88.96 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.448 1.022 . . . . 0.0 109.804 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.7 pt -54.74 -37.69 40.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 120.198 1.363 . . . . 0.0 110.951 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mp -75.32 -50.86 14.67 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 120.441 1.473 . . . . 0.0 108.881 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.52 -47.62 84.83 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.886 1.221 . . . . 0.0 110.804 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -87.56 -39.59 14.99 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.667 -1.159 . . . . 0.0 111.849 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.59 53.01 0.72 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.649 1.113 . . . . 0.0 109.58 -172.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.19 -51.62 0.03 OUTLIER 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.648 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.874 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.534 174.317 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.4 ttm . . . . . 0 CA--C 1.513 -0.448 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -81.59 -41.08 22.06 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.889 1.222 . . . . 0.0 110.299 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 p -61.24 -43.83 98.24 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.351 0.978 . . . . 0.0 110.169 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 pt -53.3 -36.47 26.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.664 1.12 . . . . 0.0 110.013 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tt -80.11 -55.21 5.1 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.06 -51.52 63.82 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.188 0.904 . . . . 0.0 111.288 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -80.76 -42.2 22.21 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 117.999 -1.0 . . . . 0.0 111.368 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.98 52.03 0.75 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-N 119.138 0.881 . . . . 0.0 110.247 -170.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.78 -53.6 0.04 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.861 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.91 0 CA-C-N 119.088 0.858 . . . . 0.0 109.044 172.552 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.557 -0.735 . . . . 0.0 111.392 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -83.72 -41.26 17.87 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.634 1.106 . . . . 0.0 110.309 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -60.02 -40.25 88.64 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.869 -178.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 pt -55.74 -38.42 50.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-N 120.073 1.306 . . . . 0.0 110.206 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.89 -58.67 3.26 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.465 1.484 . . . . 0.0 107.999 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -54.15 -52.94 59.52 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.499 -172.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -88.3 -19.01 27.29 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 116.527 -1.701 . . . . 0.0 112.885 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.43 43.52 2.87 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 121.452 1.933 . . . . 0.0 110.403 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.51 -60.08 0.19 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.14 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.897 0 CA-C-O 116.076 -1.916 . . . . 0.0 112.602 175.788 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 ttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.984 -0.532 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -81.63 -42.31 20.19 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.222 0.919 . . . . 0.0 110.431 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.6 p -63.22 -42.9 99.32 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.072 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -53.58 -34.12 23.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-N 120.102 1.319 . . . . 0.0 110.217 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -79.53 -58.85 2.99 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.44 -49.98 66.23 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-N 119.272 0.942 . . . . 0.0 111.588 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -82.4 -43.22 17.61 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.422 -173.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.37 55.2 0.72 Allowed 'General case' 0 C--N 1.358 0.935 0 CA-C-N 119.3 0.954 . . . . 0.0 109.692 -171.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.33 -52.72 0.03 OUTLIER 'General case' 0 C--N 1.356 0.851 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.114 177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 0.901 0 CA-C-O 118.11 -0.948 . . . . 0.0 108.528 174.137 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.9 ttt . . . . . 0 C--O 1.221 -0.431 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.11 -43.04 14.22 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.358 0.981 . . . . 0.0 110.633 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -62.17 -43.08 99.64 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.438 1.017 . . . . 0.0 109.959 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -52.36 -35.8 20.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 CA-C-N 119.773 1.17 . . . . 0.0 110.076 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.96 -51.79 7.71 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.12 -52.52 64.97 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.402 1.001 . . . . 0.0 110.943 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -82.08 -42.68 18.87 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.712 -1.137 . . . . 0.0 111.593 -172.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.11 51.76 0.82 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.365 0.984 . . . . 0.0 110.312 -172.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.18 -55.98 0.03 OUTLIER 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.965 -0.541 . . . . 0.0 109.86 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 0.875 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.527 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.7 mtt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -84.19 -38.47 20.56 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.715 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -68.33 -45.8 71.93 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 120.166 1.348 . . . . 0.0 109.237 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -54.91 -36.21 37.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 119.932 1.242 . . . . 0.0 110.207 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -56.02 4.52 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.34 -53.92 52.64 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 118.717 0.69 . . . . 0.0 111.057 -178.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -76.49 -46.17 27.89 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.936 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.38 54.22 0.76 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.123 0.874 . . . . 0.0 110.451 -169.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.0 -50.75 0.03 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.087 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.814 0 CA-C-N 119.163 0.892 . . . . 0.0 109.053 172.327 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 59.8 m80 . . . . . 0 CA--C 1.512 -0.519 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.26 -62.61 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -150.53 -67.23 0.19 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.62 -19.53 70.79 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-O 117.602 -1.665 . . . . 0.0 112.391 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t 56.5 37.72 29.05 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 119.8 1.8 . . . . 0.0 110.232 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -88.48 -34.27 17.51 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.296 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.9 t -49.1 -47.03 45.57 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 119.533 1.06 . . . . 0.0 111.178 -178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -51.54 -58.39 6.44 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.645 -176.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -60.57 -37.25 80.68 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.192 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 19.6 ttt -60.96 -30.0 69.99 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.699 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -81.09 -41.9 21.82 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.67 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.7 p -62.53 -39.15 92.65 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 117.681 -1.152 . . . . 0.0 109.857 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.34 -27.68 28.93 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 CA-C-N 120.361 1.437 . . . . 0.0 110.644 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -84.04 -55.18 4.35 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.321 1.419 . . . . 0.0 107.443 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.19 -50.4 71.31 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.408 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -82.94 -43.23 16.7 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.473 -1.251 . . . . 0.0 111.239 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.21 50.88 0.8 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 119.551 1.068 . . . . 0.0 110.33 -172.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -160.55 -56.4 0.05 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.353 -0.832 . . . . 0.0 109.521 174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.9 -44.68 60.01 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 119.505 1.048 . . . . 0.0 110.243 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp85 -95.11 10.47 35.7 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.724 -1.131 . . . . 0.0 112.887 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -134.21 25.7 3.86 Favored 'General case' 0 C--N 1.357 0.93 0 CA-C-N 120.033 1.288 . . . . 0.0 112.114 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.14 -45.78 3.04 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 119.536 1.062 . . . . 0.0 109.509 174.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.97 28.81 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-N 120.29 1.404 . . . . 0.0 111.567 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -135.66 40.13 2.79 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 119.555 1.071 . . . . 0.0 110.492 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -164.7 -41.78 0.03 OUTLIER 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.554 -1.212 . . . . 0.0 113.85 -176.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.7 mt -129.71 51.62 2.06 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 172.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -171.56 -47.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.823 0 CA-C-O 117.442 -1.266 . . . . 0.0 110.167 -178.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -50.36 -34.77 25.23 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 120.878 1.672 . . . . 0.0 109.766 176.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.39 -44.04 11.61 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.187 0.903 . . . . 0.0 110.756 173.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.44 32.05 0.8 Allowed 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.942 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.1 mt -143.0 -60.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-N 119.8 1.182 . . . . 0.0 107.932 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.3 t -45.54 -33.71 2.9 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-O 117.992 -1.004 . . . . 0.0 111.192 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 p30 . . . . . 0 C--N 1.356 0.857 0 CA-C-N 119.127 0.876 . . . . 0.0 109.082 178.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.3 m80 . . . . . 0 CA--C 1.51 -0.564 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.44 60.95 1.69 Allowed 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.04 -60.15 3.83 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.78 -49.29 1.1 Allowed Glycine 0 C--N 1.355 1.602 0 CA-C-O 118.548 -1.14 . . . . 0.0 112.711 -177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t 59.88 37.38 21.71 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.665 1.232 . . . . 0.0 110.312 -173.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -71.65 -36.61 70.74 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 118.347 -0.835 . . . . 0.0 108.848 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.2 t -46.03 -45.75 16.2 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 118.549 0.613 . . . . 0.0 111.322 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.76 -51.7 67.88 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 119.896 -0.722 . . . . 0.0 110.342 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -74.11 -15.72 61.04 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.702 -1.142 . . . . 0.0 111.715 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 43.3 ttm -82.1 -29.21 31.86 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 120.696 1.589 . . . . 0.0 111.151 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -89.75 -35.6 15.65 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.353 0.979 . . . . 0.0 112.005 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -66.19 -39.26 89.54 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 119.945 1.248 . . . . 0.0 109.167 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 pt -59.02 -40.32 80.41 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 CA-C-N 120.239 1.381 . . . . 0.0 111.105 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pp -75.5 -37.86 59.86 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-N 121.004 1.729 . . . . 0.0 109.491 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -71.73 -50.66 28.16 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 119.967 1.258 . . . . 0.0 109.535 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -81.76 -39.4 24.18 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-O 117.864 -1.065 . . . . 0.0 111.517 -173.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.23 55.16 0.66 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.254 0.933 . . . . 0.0 109.954 -171.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.67 -52.97 0.03 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.55 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.95 -46.49 61.12 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 118.309 -0.853 . . . . 0.0 109.366 175.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -100.62 36.72 1.85 Allowed 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.561 -0.733 . . . . 0.0 111.138 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -145.43 30.21 1.13 Allowed 'General case' 0 C--N 1.356 0.866 0 CA-C-N 119.438 1.017 . . . . 0.0 113.108 175.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -107.06 -24.06 12.1 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.016 0.825 . . . . 0.0 112.272 174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -151.21 -63.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.914 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.186 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -24.9 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.355 0.814 0 N-CA-C 116.525 2.046 . . . . 0.0 116.525 173.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -39.41 17.65 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 120.366 1.439 . . . . 0.0 111.157 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 23' ' ' ILE . 51.5 tp -68.34 -31.8 71.46 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.535 -178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.3 pp -37.59 -37.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.912 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -130.81 60.74 1.64 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.445 1.929 . . . . 0.0 107.573 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 99.3 m -134.99 -61.01 0.76 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -90.04 -5.73 56.3 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.779 -1.105 . . . . 0.0 110.679 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.9 mp -96.42 -58.97 3.43 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 CA-C-N 120.589 1.54 . . . . 0.0 107.018 -176.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.7 m -59.75 -23.0 62.87 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 117.336 -1.316 . . . . 0.0 111.67 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.355 0.834 0 CA-C-N 119.745 1.157 . . . . 0.0 110.779 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 . . . . . 0 CA--C 1.511 -0.525 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.21 67.45 0.42 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -176.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -55.28 -47.76 75.04 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.418 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.78 50.01 0.36 Allowed Glycine 0 C--N 1.354 1.547 0 C-N-CA 119.834 -1.175 . . . . 0.0 111.984 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m 47.39 70.16 0.44 Allowed 'General case' 0 C--N 1.353 0.757 0 CA-C-N 117.835 0.818 . . . . 0.0 110.723 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -50.46 -47.13 57.08 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.799 -1.185 . . . . 0.0 107.799 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 t -47.26 -46.34 24.58 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.725 -0.655 . . . . 0.0 112.403 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -55.37 -50.69 69.05 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.869 -176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -67.29 -30.38 70.23 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 118.508 -0.758 . . . . 0.0 111.08 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.78 -30.45 69.9 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 119.768 1.167 . . . . 0.0 111.135 -177.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -89.03 -41.14 12.51 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 119.053 0.842 . . . . 0.0 111.256 -178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.6 p -61.63 -36.85 81.96 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.575 1.08 . . . . 0.0 110.115 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -60.09 -36.35 67.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 CA-C-N 120.337 1.426 . . . . 0.0 110.037 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.39 -52.64 10.28 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.965 1.257 . . . . 0.0 108.558 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.42 -48.19 82.84 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 119.77 -0.772 . . . . 0.0 110.856 -175.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -86.15 -38.19 17.97 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.719 -1.134 . . . . 0.0 111.736 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.37 52.45 0.71 Allowed 'General case' 0 C--N 1.358 0.965 0 CA-C-N 119.428 1.013 . . . . 0.0 109.859 -171.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.09 -54.3 0.03 OUTLIER 'General case' 0 C--N 1.355 0.841 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.122 176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.14 -40.31 58.26 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 117.43 -1.272 . . . . 0.0 109.3 174.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -115.02 56.92 0.73 Allowed 'General case' 0 C--N 1.359 1.002 0 CA-C-N 119.084 0.856 . . . . 0.0 109.809 171.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.09 33.82 0.29 Allowed 'General case' 0 C--N 1.355 0.809 0 C-N-CA 119.603 -0.839 . . . . 0.0 113.045 167.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 174.91 112.02 0.02 OUTLIER 'General case' 0 C--N 1.357 0.899 0 CA-C-O 117.18 -1.391 . . . . 0.0 107.992 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 mm 62.74 34.33 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 120.071 1.305 . . . . 0.0 110.145 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -159.34 -60.52 0.07 Allowed 'General case' 0 C--N 1.358 0.943 0 CA-C-N 118.801 0.728 . . . . 0.0 110.04 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -24.44 67.79 Favored 'General case' 0 C--N 1.357 0.93 0 CA-C-O 117.893 -1.051 . . . . 0.0 112.714 -178.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -110.43 -1.66 16.96 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 117.757 -1.116 . . . . 0.0 111.493 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.37 -54.81 3.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 CA-C-N 120.29 1.405 . . . . 0.0 109.584 -172.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -70.49 -25.14 63.02 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 119.24 0.927 . . . . 0.0 109.486 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.3 p -86.3 -10.95 53.51 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 116.882 -1.532 . . . . 0.0 113.59 -175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -137.97 32.89 2.4 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-N 120.768 1.622 . . . . 0.0 111.755 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.8 mt -148.28 -58.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.982 0 CA-C-N 118.91 0.777 . . . . 0.0 109.358 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.0 m -59.4 -26.59 65.26 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-O 117.647 -1.168 . . . . 0.0 110.863 -179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--N 1.356 0.889 0 CA-C-N 119.834 1.197 . . . . 0.0 108.2 179.361 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 . . . . . 0 CA--C 1.509 -0.598 0 CA-C-O 118.809 -0.615 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.48 -51.31 44.78 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.006 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -162.08 -64.39 0.05 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.285 -175.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.41 -55.95 0.54 Allowed Glycine 0 C--N 1.354 1.54 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 -178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 m -143.61 57.78 1.37 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -46.9 88.73 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.5 t -44.74 -53.67 7.1 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 118.197 -0.906 . . . . 0.0 112.708 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.82 -50.65 60.43 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.456 1.026 . . . . 0.0 109.699 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -65.69 -34.82 79.09 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.81 -0.756 . . . . 0.0 109.769 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.1 ttp -69.45 -18.69 63.75 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.351 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -88.4 -41.83 12.56 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.054 1.297 . . . . 0.0 110.52 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -60.43 -35.63 76.26 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 119.506 1.048 . . . . 0.0 110.637 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -57.98 -33.98 47.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 CA-C-N 120.38 1.445 . . . . 0.0 110.317 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -85.62 -44.98 12.15 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.665 1.12 . . . . 0.0 108.032 -175.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -62.59 -48.64 78.55 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 120.078 1.308 . . . . 0.0 110.637 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -86.34 -39.84 16.04 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 117.896 -1.049 . . . . 0.0 111.998 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.91 54.33 0.71 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.373 0.988 . . . . 0.0 109.425 -172.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.64 -54.59 0.03 OUTLIER 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.199 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.96 -37.95 54.79 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.492 -1.242 . . . . 0.0 109.486 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -118.51 52.85 1.01 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-N 118.875 0.762 . . . . 0.0 109.948 174.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -156.23 33.8 0.33 Allowed 'General case' 0 C--N 1.355 0.829 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 168.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 174.53 112.79 0.02 OUTLIER 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.236 -1.364 . . . . 0.0 107.908 -179.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.2 mm 63.19 32.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 120.471 1.487 . . . . 0.0 109.97 -177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -158.22 -62.32 0.08 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 118.87 0.759 . . . . 0.0 109.79 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -19.44 65.89 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 117.527 -1.225 . . . . 0.0 112.684 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 tp -122.02 32.54 5.79 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 119.61 1.095 . . . . 0.0 108.264 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -158.09 -56.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-N 119.051 0.841 . . . . 0.0 109.685 -172.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -72.07 -43.48 64.81 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 173.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.6 m -83.52 -32.43 25.9 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.554 -1.212 . . . . 0.0 111.218 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.4 29.58 4.31 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 120.443 1.474 . . . . 0.0 110.286 -173.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.8 mt -149.08 -60.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.3 m -51.97 -46.51 64.83 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 118.802 0.728 . . . . 0.0 109.532 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.9 t0 . . . . . 0 C--N 1.354 0.768 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.419 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.3 p80 . . . . . 0 CA--C 1.509 -0.597 0 CA-C-O 117.852 -1.07 . . . . 0.0 108.694 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.78 52.09 0.18 Allowed 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.308 0.958 . . . . 0.0 110.338 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 t0 74.07 -59.8 0.55 Allowed 'General case' 0 C--N 1.354 0.769 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.871 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.3 -54.68 0.07 OUTLIER Glycine 0 C--N 1.354 1.545 0 CA-C-N 119.516 1.053 . . . . 0.0 111.283 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 t 57.19 37.93 28.62 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 117.769 0.785 . . . . 0.0 111.469 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -85.55 -33.02 21.84 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.379 -1.296 . . . . 0.0 109.842 174.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.2 t -45.78 -47.78 15.58 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 120.079 1.308 . . . . 0.0 111.367 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -55.71 -53.44 56.6 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 119.888 -0.725 . . . . 0.0 110.398 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.21 -23.78 62.09 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.592 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 27.4 ttt -76.95 -29.95 55.81 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.828 1.195 . . . . 0.0 111.787 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -87.78 -42.97 12.22 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.456 1.025 . . . . 0.0 110.951 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -59.37 -41.3 88.96 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.448 1.022 . . . . 0.0 109.804 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.7 pt -54.74 -37.69 40.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.718 0 CA-C-N 120.198 1.363 . . . . 0.0 110.951 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mp -75.32 -50.86 14.67 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 120.441 1.473 . . . . 0.0 108.881 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.52 -47.62 84.83 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.886 1.221 . . . . 0.0 110.804 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -87.56 -39.59 14.99 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.667 -1.159 . . . . 0.0 111.849 -173.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.59 53.01 0.72 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.649 1.113 . . . . 0.0 109.58 -172.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.19 -51.62 0.03 OUTLIER 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.648 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.91 -45.43 30.74 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-O 117.943 -1.027 . . . . 0.0 109.534 174.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -113.4 44.75 1.51 Allowed 'General case' 0 C--N 1.356 0.863 0 O-C-N 123.728 0.643 . . . . 0.0 110.813 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -148.31 25.54 0.99 Allowed 'General case' 0 C--N 1.352 0.717 0 CA-C-O 117.621 -1.181 . . . . 0.0 113.66 168.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -116.89 -17.24 10.47 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-O 117.526 -1.226 . . . . 0.0 113.512 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.1 pt -159.95 -48.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-N 120.29 1.405 . . . . 0.0 109.745 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -40.52 -39.26 0.99 Allowed 'General case' 0 C--N 1.364 1.198 0 CA-C-N 120.322 1.419 . . . . 0.0 113.323 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -40.55 20.33 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 119.18 0.9 . . . . 0.0 108.645 -177.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tt -68.93 -8.76 47.37 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 116.971 -1.49 . . . . 0.0 111.768 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 pp -37.73 -49.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.074 0 CA-C-N 121.195 1.816 . . . . 0.0 113.077 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -139.04 24.31 2.56 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 121.065 1.757 . . . . 0.0 111.913 171.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.9 m -88.83 -39.1 14.1 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.406 1.457 . . . . 0.0 108.946 175.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -122.73 28.53 7.26 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-N 119.655 1.116 . . . . 0.0 110.544 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.5 mt -122.05 -59.42 2.43 Favored 'Isoleucine or valine' 0 C--N 1.36 1.034 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.1 m -57.9 -26.3 61.98 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 117.33 -1.319 . . . . 0.0 110.793 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 50.6 t0 . . . . . 0 C--N 1.357 0.92 0 CA-C-N 119.984 1.265 . . . . 0.0 107.899 178.498 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 . . . . . 0 CA--C 1.511 -0.534 0 CA-C-O 118.235 -0.888 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.49 -59.78 2.76 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -170.96 -66.11 0.02 OUTLIER 'General case' 0 C--N 1.355 0.819 0 CA-C-N 118.667 0.667 . . . . 0.0 110.598 -178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.59 64.38 0.01 OUTLIER Glycine 0 C--N 1.355 1.597 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -162.33 57.48 0.23 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -63.97 -48.74 75.26 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 -176.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.5 t -46.87 -47.22 21.4 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 118.896 -0.573 . . . . 0.0 112.024 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -54.46 -51.52 64.73 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.89 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.27 -38.53 90.58 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 120.127 -0.629 . . . . 0.0 109.981 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.4 ttm -60.12 -22.0 62.27 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 118.351 -0.833 . . . . 0.0 111.537 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -81.59 -41.08 22.06 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.889 1.222 . . . . 0.0 110.299 174.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.5 p -61.24 -43.83 98.24 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.351 0.978 . . . . 0.0 110.169 -177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 22.0 pt -53.3 -36.47 26.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 CA-C-N 119.664 1.12 . . . . 0.0 110.013 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.7 tt -80.11 -55.21 5.1 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -174.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.06 -51.52 63.82 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.188 0.904 . . . . 0.0 111.288 -178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -80.76 -42.2 22.21 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 117.999 -1.0 . . . . 0.0 111.368 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.98 52.03 0.75 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-N 119.138 0.881 . . . . 0.0 110.247 -170.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.78 -53.6 0.04 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-O 118.732 -0.652 . . . . 0.0 110.861 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.93 -36.88 29.47 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-N 119.088 0.858 . . . . 0.0 109.044 172.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -44.83 -44.41 9.46 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 118.484 -0.769 . . . . 0.0 109.651 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -73.95 60.74 0.76 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 120.049 1.295 . . . . 0.0 112.158 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 175.08 103.59 0.01 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 175.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.5 mm 65.56 34.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 119.533 1.06 . . . . 0.0 110.024 -177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -158.86 -58.77 0.07 Allowed 'General case' 0 C--N 1.358 0.96 0 CA-C-N 118.836 0.744 . . . . 0.0 110.504 170.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -18.6 60.42 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.646 1.112 . . . . 0.0 111.643 177.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.9 tp -104.91 -48.03 3.86 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.446 -1.74 . . . . 0.0 109.908 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 tp -87.81 -25.07 6.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.942 0 CA-C-N 121.147 1.794 . . . . 0.0 113.039 -175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -112.49 73.77 0.83 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.217 1.371 . . . . 0.0 107.673 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.9 -68.4 0.22 Allowed 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.253 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -122.0 35.24 4.94 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.084 0.856 . . . . 0.0 109.101 177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 mt -136.58 -63.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.831 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -173.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 91.4 m -56.19 -43.63 78.65 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 119.221 0.919 . . . . 0.0 109.13 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 C--N 1.356 0.873 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.778 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 118.339 -0.839 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.31 80.68 0.21 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 75.89 10.31 3.26 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-O 117.398 -1.287 . . . . 0.0 111.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.98 33.86 2.27 Favored Glycine 0 C--N 1.358 1.775 0 CA-C-N 119.953 1.251 . . . . 0.0 110.866 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -155.22 44.97 0.48 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.54 1.17 . . . . 0.0 109.665 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -76.43 -35.84 58.31 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.403 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.7 t -47.32 -46.87 25.61 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.246 0.93 . . . . 0.0 111.654 -177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.0 -50.76 65.89 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.059 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.55 -37.86 87.92 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 119.935 -0.706 . . . . 0.0 109.573 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 23.0 ttt -60.76 -21.79 63.39 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.557 -0.735 . . . . 0.0 111.392 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -83.72 -41.26 17.87 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.634 1.106 . . . . 0.0 110.309 175.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -60.02 -40.25 88.64 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.869 -178.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.6 pt -55.74 -38.42 50.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.713 0 CA-C-N 120.073 1.306 . . . . 0.0 110.206 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.89 -58.67 3.26 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.465 1.484 . . . . 0.0 107.999 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -54.15 -52.94 59.52 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.595 -0.842 . . . . 0.0 110.499 -172.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -88.3 -19.01 27.29 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 116.527 -1.701 . . . . 0.0 112.885 -173.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -122.43 43.52 2.87 Favored 'General case' 0 C--N 1.359 0.997 0 CA-C-N 121.452 1.933 . . . . 0.0 110.403 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.51 -60.08 0.19 Allowed 'General case' 0 C--N 1.355 0.847 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.14 172.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.453 ' O ' ' ND2' ' A' ' 24' ' ' ASN . . . -76.83 3.51 11.77 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 116.076 -1.916 . . . . 0.0 112.602 175.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -105.89 -25.21 12.23 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.292 1.86 . . . . 0.0 112.785 171.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -109.14 57.44 0.61 Allowed 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.339 1.881 . . . . 0.0 108.226 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.62 -61.98 0.24 Allowed 'General case' 0 C--N 1.353 0.723 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.27 46.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 123.378 0.424 . . . . 0.0 111.6 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -152.63 45.25 0.7 Allowed 'General case' 0 C--N 1.36 1.051 0 CA-C-N 118.959 0.8 . . . . 0.0 110.209 178.04 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.1 -47.63 0.01 OUTLIER 'General case' 0 C--N 1.35 0.59 0 CA-C-O 118.72 -0.657 . . . . 0.0 109.23 -166.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 tp -100.09 -17.65 17.35 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-O 115.145 -2.359 . . . . 0.0 110.941 174.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -113.91 -46.41 4.94 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 0 CA-C-N 122.757 2.526 . . . . 0.0 111.94 -179.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -108.49 50.12 0.79 Allowed 'General case' 0 C--N 1.364 1.216 0 CA-C-N 122.851 2.569 . . . . 0.0 110.915 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 61.8 m -151.92 -69.85 0.16 Allowed 'General case' 0 C--N 1.354 0.763 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.708 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -87.55 -1.4 57.92 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 117.38 -1.295 . . . . 0.0 111.741 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.9 mm -99.55 -54.3 7.01 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 CA-C-N 120.257 1.389 . . . . 0.0 108.914 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.4 m -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.355 0.811 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 176.347 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 . . . . . 0 CA--C 1.512 -0.514 0 CA-C-O 118.847 -0.597 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.14 -57.26 0.2 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.29 -178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 t70 64.93 41.72 4.65 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 119.243 0.929 . . . . 0.0 109.288 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.3 40.66 99.24 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 118.053 -1.415 . . . . 0.0 112.065 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -146.53 51.38 1.12 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 119.205 1.502 . . . . 0.0 109.589 175.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -58.41 -35.77 72.55 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.18 -0.914 . . . . 0.0 109.56 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.7 t -49.06 -46.64 44.74 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 118.792 0.724 . . . . 0.0 111.01 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -50.92 -49.83 58.87 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 120.021 -0.671 . . . . 0.0 109.916 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -67.77 -40.14 84.06 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 119.785 -0.766 . . . . 0.0 109.439 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.9 ttt -57.61 -28.55 63.75 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 118.568 0.622 . . . . 0.0 110.875 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -81.63 -42.31 20.19 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.222 0.919 . . . . 0.0 110.431 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.6 p -63.22 -42.9 99.32 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.072 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -53.58 -34.12 23.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-N 120.102 1.319 . . . . 0.0 110.217 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -79.53 -58.85 2.99 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 -176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.44 -49.98 66.23 Favored 'General case' 0 C--N 1.353 0.717 0 CA-C-N 119.272 0.942 . . . . 0.0 111.588 -177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -82.4 -43.22 17.61 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 117.982 -1.009 . . . . 0.0 111.422 -173.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.37 55.2 0.72 Allowed 'General case' 0 C--N 1.358 0.935 0 CA-C-N 119.3 0.954 . . . . 0.0 109.692 -171.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.33 -52.72 0.03 OUTLIER 'General case' 0 C--N 1.356 0.851 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.114 177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.62 -46.99 58.49 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 118.11 -0.948 . . . . 0.0 108.528 174.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -96.62 45.9 1.06 Allowed 'General case' 0 C--N 1.353 0.74 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.07 176.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.42 24.11 0.9 Allowed 'General case' 0 C--N 1.357 0.919 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 175.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -114.18 1.02 14.42 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 120.393 1.451 . . . . 0.0 112.171 172.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -154.85 -73.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.833 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 -177.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -25.05 -83.93 0.0 OUTLIER 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.427 -1.273 . . . . 0.0 114.131 172.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -37.7 0.35 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 122.264 2.302 . . . . 0.0 113.846 175.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -31.28 61.13 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 116.956 -1.497 . . . . 0.0 112.233 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.5 tt -107.49 -56.65 4.69 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 CA-C-N 120.939 1.7 . . . . 0.0 110.198 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.11 -53.79 54.39 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 119.277 0.944 . . . . 0.0 108.897 -171.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.6 m -109.87 66.39 0.63 Allowed 'General case' 0 C--N 1.357 0.924 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -175.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -177.23 -61.54 0.01 OUTLIER 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.3 mt -91.78 -59.26 3.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.3 m -66.09 -43.09 88.31 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.143 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 C--N 1.355 0.825 0 CA-C-N 119.02 0.827 . . . . 0.0 110.821 -177.896 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.1 p80 . . . . . 0 CA--C 1.511 -0.547 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.46 51.53 16.61 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 118.044 0.383 . . . . 0.0 111.365 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.73 -55.25 28.43 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 174.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.34 65.72 0.04 OUTLIER Glycine 0 C--N 1.353 1.495 0 C-N-CA 119.851 -1.166 . . . . 0.0 111.375 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m 48.01 38.58 9.67 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 117.677 0.738 . . . . 0.0 110.304 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -85.57 -49.29 8.15 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.6 t -45.95 -46.08 15.96 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.838 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -51.51 -51.67 53.25 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 119.916 -0.713 . . . . 0.0 110.148 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -44.89 95.2 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 12.9 ttt -56.58 -25.2 51.85 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.218 -0.896 . . . . 0.0 111.956 -177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.11 -43.04 14.22 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 119.358 0.981 . . . . 0.0 110.633 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -62.17 -43.08 99.64 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.438 1.017 . . . . 0.0 109.959 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -52.36 -35.8 20.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 CA-C-N 119.773 1.17 . . . . 0.0 110.076 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -81.96 -51.79 7.71 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.12 -52.52 64.97 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 119.402 1.001 . . . . 0.0 110.943 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -82.08 -42.68 18.87 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 117.712 -1.137 . . . . 0.0 111.593 -172.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.11 51.76 0.82 Allowed 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.365 0.984 . . . . 0.0 110.312 -172.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -164.18 -55.98 0.03 OUTLIER 'General case' 0 C--N 1.352 0.713 0 CA-C-O 118.965 -0.541 . . . . 0.0 109.86 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.85 -42.01 83.56 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -49.23 -38.08 25.34 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-N 119.285 0.948 . . . . 0.0 111.009 176.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -59.88 -18.29 43.4 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 116.582 -1.675 . . . . 0.0 113.609 -178.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 99.1 m-85 -134.17 142.51 47.46 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-N 121.082 1.765 . . . . 0.0 111.198 177.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.3 mm 66.36 31.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-N 119.966 1.257 . . . . 0.0 110.262 -174.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -163.98 -59.34 0.04 OUTLIER 'General case' 0 C--N 1.354 0.79 0 O-C-N 121.56 -0.713 . . . . 0.0 110.386 176.248 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -31.04 51.81 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.461 -1.257 . . . . 0.0 114.198 -173.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.8 mt -136.6 46.05 2.26 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -150.18 -54.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.129 -174.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -112.33 56.63 0.66 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.14 -59.41 0.42 Allowed 'General case' 0 C--N 1.355 0.811 0 CA-C-O 118.566 -0.73 . . . . 0.0 109.819 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -103.77 21.02 16.97 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 117.884 -1.055 . . . . 0.0 110.134 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.6 mt -123.75 -58.79 2.19 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-N 119.232 0.924 . . . . 0.0 108.619 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.8 m -55.86 -37.57 68.94 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.162 0.892 . . . . 0.0 109.358 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--N 1.354 0.776 0 CA-C-N 118.67 0.668 . . . . 0.0 109.29 177.725 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.476 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.49 172.73 16.7 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.099 0.863 . . . . 0.0 111.32 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.86 132.25 8.29 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.56 -1.21 . . . . 0.0 108.896 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.65 -10.78 73.48 Favored Glycine 0 C--N 1.357 1.745 0 CA-C-O 117.203 -1.887 . . . . 0.0 113.269 -176.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t 49.7 37.46 12.97 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.695 2.248 . . . . 0.0 111.538 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.3 -39.6 18.99 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.0 t -39.18 -46.45 1.48 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.593 -0.717 . . . . 0.0 112.371 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -57.42 -48.31 79.46 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.35 -178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.36 -51.15 71.14 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.768 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 60.7 mtt -54.14 -34.38 60.22 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.603 1.092 . . . . 0.0 111.872 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -84.19 -38.47 20.56 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.715 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -68.33 -45.8 71.93 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 120.166 1.348 . . . . 0.0 109.237 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -54.91 -36.21 37.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.638 0 CA-C-N 119.932 1.242 . . . . 0.0 110.207 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -56.02 4.52 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -176.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.34 -53.92 52.64 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 118.717 0.69 . . . . 0.0 111.057 -178.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -76.49 -46.17 27.89 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.936 -173.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.38 54.22 0.76 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 119.123 0.874 . . . . 0.0 110.451 -169.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.0 -50.75 0.03 OUTLIER 'General case' 0 C--N 1.356 0.877 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.087 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.41 -42.38 31.91 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.163 0.892 . . . . 0.0 109.053 172.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -62.49 -28.83 70.11 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.307 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -76.44 57.7 1.23 Allowed 'General case' 0 C--N 1.356 0.856 0 CA-C-N 119.915 1.234 . . . . 0.0 111.018 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -173.55 86.33 0.05 Allowed 'General case' 0 C--N 1.354 0.765 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.273 9.1 mm 75.58 26.32 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.966 -177.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.6 48.57 0.59 Allowed 'General case' 0 C--N 1.359 0.986 0 CA-C-N 120.632 1.56 . . . . 0.0 109.315 174.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.0 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.351 0.672 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -168.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.2 tp -78.02 -29.87 49.7 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 119.136 -0.459 . . . . 0.0 109.907 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.9 pp -41.43 -40.76 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-O 116.428 -1.749 . . . . 0.0 115.016 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -114.4 58.94 0.69 Allowed 'General case' 0 C--N 1.359 1.006 0 CA-C-N 121.986 2.175 . . . . 0.0 107.386 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 55.9 m -153.53 -58.26 0.13 Allowed 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.165 -176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -104.07 38.54 1.82 Allowed 'General case' 0 C--N 1.357 0.929 0 CA-C-N 119.438 1.017 . . . . 0.0 108.934 176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 28.1 mt -140.88 -62.37 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.4 m -54.82 -33.31 61.46 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.478 175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 C--N 1.355 0.841 0 CA-C-N 118.839 0.745 . . . . 0.0 111.69 178.042 . . . . . . . . 0 0 . 1 stop_ save_