data_1o1u_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 1o1u _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 ' 2' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 CA--C 1.51 -0.593 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.0 m -158.79 113.36 2.48 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-O 117.607 -1.187 . . . . 0.0 108.433 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.74 177.36 27.99 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 118.011 -1.438 . . . . 0.0 111.34 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -88.88 147.62 24.28 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 118.567 1.183 . . . . 0.0 107.956 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -145.24 173.05 12.29 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 116.872 -1.537 . . . . 0.0 109.131 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -156.87 141.47 16.79 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.757 1.617 . . . . 0.0 110.87 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttp -68.93 105.46 2.39 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.083 -1.437 . . . . 0.0 108.567 -173.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -81.89 -37.79 26.33 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 120.955 1.707 . . . . 0.0 110.47 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 m -155.2 173.47 16.57 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.43 1.014 . . . . 0.0 111.358 -171.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -142.02 172.8 12.19 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 118.129 -0.938 . . . . 0.0 111.1 -175.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -118.48 -74.73 0.6 Allowed 'General case' 0 C--N 1.359 0.996 0 CA-C-O 117.197 -1.382 . . . . 0.0 109.923 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -108.98 20.58 18.26 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 120.479 1.491 . . . . 0.0 112.203 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -44.75 -44.68 9.46 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -57.06 -54.33 47.98 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 119.761 -0.776 . . . . 0.0 111.226 -173.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -69.33 -51.24 38.94 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.056 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -44.16 -39.57 4.42 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 119.209 0.913 . . . . 0.0 111.677 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -49.12 65.58 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.295 0.0 OUTLIER -56.16 -25.68 47.48 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.732 -1.127 . . . . 0.0 110.946 -175.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -76.49 -50.52 13.8 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 119.99 1.268 . . . . 0.0 109.207 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.84 -46.96 74.7 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.412 1.46 . . . . 0.0 108.922 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.69 64.13 0.76 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.2 mm -103.36 157.09 5.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 t -71.1 141.18 50.82 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.831 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -54.18 -30.33 49.12 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -77.52 -45.12 26.44 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.32 -36.48 74.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 CA-C-O 117.869 -1.063 . . . . 0.0 108.632 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.4 mt -56.95 -58.01 7.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -58.22 -25.84 62.13 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.513 -1.232 . . . . 0.0 112.404 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -66.31 -68.13 0.39 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 121.066 1.757 . . . . 0.0 109.809 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.69 -38.89 22.6 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.293 0.951 . . . . 0.0 111.255 -170.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -30.63 60.49 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.701 -176.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -101.96 33.42 3.05 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.437 1.017 . . . . 0.0 110.325 171.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -151.46 145.05 24.94 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.694 1.134 . . . . 0.0 111.026 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -89.63 87.26 6.95 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.01 127.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 104.829 -2.286 . . . . 0.0 104.829 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.8 t -86.89 151.81 3.54 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.9 m -140.74 117.83 11.23 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 117.225 -1.369 . . . . 0.0 108.231 -173.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -108.17 157.97 17.84 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.6 t -143.74 149.54 17.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 CA-C-O 117.562 -1.209 . . . . 0.0 109.49 174.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -143.88 88.66 1.99 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.22 89.2 0.19 Allowed 'General case' 0 C--N 1.351 0.65 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -91.86 70.32 5.58 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.4 -159.5 46.7 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.03 -1.081 . . . . 0.0 111.07 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -50.03 -33.55 18.54 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.138 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.72 146.15 30.14 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 120.005 1.275 . . . . 0.0 108.653 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.86 160.2 23.92 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.2 76.85 1.64 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 103.841 -2.651 . . . . 0.0 103.841 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -77.94 155.96 30.54 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 116.729 -1.605 . . . . 0.0 106.759 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -149.89 158.97 44.69 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 119.824 1.193 . . . . 0.0 110.462 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -136.23 81.19 1.87 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 . . . . . 0 CA--C 1.503 -0.828 0 CA-C-O 117.532 -1.223 . . . . 0.0 109.535 -171.141 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 57' ' ' HIS . 6.9 t60 . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 118.15 -0.929 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.426 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 87.2 m -134.57 109.08 8.44 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.572 -1.204 . . . . 0.0 107.828 171.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.1 ttp -85.85 153.82 21.98 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 172.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -135.54 153.03 51.84 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.842 1.656 . . . . 0.0 111.581 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -131.48 71.54 1.48 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -73.33 142.67 47.08 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -160.41 168.91 24.16 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.035 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -124.65 137.24 54.38 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.38 152.75 3.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -170.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.34 24.09 63.14 Favored Glycine 0 C--N 1.351 1.381 0 CA-C-O 117.682 -1.621 . . . . 0.0 109.462 -172.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -145.01 -61.02 0.36 Allowed 'General case' 0 C--N 1.359 0.982 0 CA-C-N 119.158 1.479 . . . . 0.0 110.272 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.282 6.6 pt-20 112.8 154.61 0.0 OUTLIER 'General case' 0 C--N 1.357 0.908 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.4 m -162.95 167.33 22.74 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 117.228 -1.368 . . . . 0.0 108.843 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -74.64 140.91 44.6 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 171.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.9 mt -136.31 140.44 43.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 120.113 1.324 . . . . 0.0 108.133 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -74.84 -39.63 61.49 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.337 0.971 . . . . 0.0 111.509 -168.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.7 p . . . . . 0 C--N 1.351 0.646 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 171.155 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--O 1.219 -0.537 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -115.74 141.58 47.9 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 171.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.8 150.94 28.06 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.048 -1.453 . . . . 0.0 110.48 -169.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.9 m -92.97 102.55 14.9 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.278 0.945 . . . . 0.0 109.0 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.81 145.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -140.96 175.37 9.67 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 174.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.7 mtp -129.15 172.76 11.11 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -133.65 -64.33 0.72 Allowed 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.065 0.853 . . . . 0.0 109.206 170.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.37 -74.6 0.02 OUTLIER Glycine 0 C--N 1.351 1.416 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.54 38.6 3.21 Favored Glycine 0 C--N 1.356 1.662 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -163.92 177.63 8.4 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.412 1.106 . . . . 0.0 110.11 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.1 tp -138.19 160.19 40.07 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 117.632 -1.175 . . . . 0.0 109.172 -172.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.6 t -141.7 145.3 24.56 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-O 116.617 -1.659 . . . . 0.0 110.472 -171.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.1 p -155.67 156.8 4.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 120.502 1.501 . . . . 0.0 110.219 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -149.32 118.45 6.77 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.486 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 10.0 m-85 -108.11 158.56 33.33 Favored Pre-proline 0 C--N 1.356 0.88 0 CA-C-O 115.755 -2.069 . . . . 0.0 106.256 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.04 67.49 5.95 Favored 'Trans proline' 0 C--N 1.358 1.04 0 CA-C-N 123.814 2.398 . . . . 0.0 108.349 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -174.88 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.7 -0.667 . . . . 0.0 109.808 -171.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.486 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 19.8 p90 -151.72 -176.53 5.66 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -133.86 154.13 51.26 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 120.152 1.342 . . . . 0.0 107.867 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -156.99 152.18 26.29 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.243 0.929 . . . . 0.0 109.676 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.23 121.86 12.54 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.8 m -95.75 163.01 13.36 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-N 121.173 1.806 . . . . 0.0 108.982 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -157.54 98.45 1.67 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-N 119.136 0.88 . . . . 0.0 109.536 -171.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mm -72.56 149.27 8.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.582 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.5 t -133.91 80.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.08 -83.44 0.17 Allowed Glycine 0 C--N 1.354 1.536 0 CA-C-O 118.794 -1.003 . . . . 0.0 110.725 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -134.05 60.79 1.69 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -169.09 138.12 2.08 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 -178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.39 129.3 55.79 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.14 158.84 30.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -143.79 161.67 38.02 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.317 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.0 p -147.36 104.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -92.72 171.98 8.64 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 117.239 -1.362 . . . . 0.0 108.144 -172.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.6 m -165.14 150.23 9.3 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-N 120.84 1.654 . . . . 0.0 111.324 -171.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 17.1 tt -160.49 -50.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 120.293 1.406 . . . . 0.0 113.695 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -162.05 74.96 0.19 Allowed Glycine 0 C--N 1.356 1.657 0 CA-C-N 121.261 1.846 . . . . 0.0 110.906 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.64 20.93 79.86 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-O 117.885 -1.509 . . . . 0.0 111.382 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 71.7 t -144.78 152.42 15.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.1 m -152.07 131.08 12.59 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.584 -1.674 . . . . 0.0 108.235 -176.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.09 96.74 6.21 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 119.84 1.2 . . . . 0.0 110.111 -173.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.68 153.39 35.18 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.722 -1.133 . . . . 0.0 111.15 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -144.49 175.9 9.78 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 116.98 -1.486 . . . . 0.0 107.982 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.27 78.98 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.723 0 CA-C-N 119.919 1.236 . . . . 0.0 107.922 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.9 m -72.98 98.18 2.45 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -67.72 169.83 8.89 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.289 -1.815 . . . . 0.0 110.145 -175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -105.92 90.45 3.39 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -173.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.64 -153.95 0.19 Allowed 'General case' 0 C--N 1.35 0.625 0 CA-C-O 117.072 -1.442 . . . . 0.0 107.529 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.629 0 CA-C-N 120.791 1.632 . . . . 0.0 110.256 -175.469 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 CA--C 1.508 -0.648 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.6 m -156.12 113.53 3.24 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.96 -155.95 27.55 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 119.881 -1.152 . . . . 0.0 111.092 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.41 155.5 42.07 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 174.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -154.92 166.24 34.16 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 116.358 -1.782 . . . . 0.0 110.972 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -145.0 150.58 37.16 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.395 1.907 . . . . 0.0 110.733 167.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.2 ttm -101.65 146.27 27.94 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 116.905 -1.521 . . . . 0.0 109.439 -168.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -160.29 -48.81 0.05 OUTLIER 'General case' 0 C--N 1.357 0.901 0 CA-C-O 117.04 -1.457 . . . . 0.0 114.054 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -69.68 -60.02 2.58 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 122.181 2.264 . . . . 0.0 109.888 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 59.66 173.8 0.08 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.545 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -143.83 -89.03 0.12 Allowed 'General case' 0 C--N 1.358 0.958 0 CA-C-O 117.192 -1.385 . . . . 0.0 110.328 -177.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -83.84 -17.38 41.14 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.398 1.908 . . . . 0.0 111.544 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 t80 2.45 -63.25 0.0 OUTLIER 'General case' 0 C--N 1.354 0.792 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 171.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -53.14 -55.32 24.97 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 119.96 1.255 . . . . 0.0 110.961 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.22 -51.23 64.71 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.032 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -44.91 -38.51 4.7 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 118.607 -1.237 . . . . 0.0 113.266 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.4 mmt -75.11 -37.56 61.45 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 117.896 -1.05 . . . . 0.0 108.401 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -53.37 -36.59 61.57 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.726 1.148 . . . . 0.0 110.276 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -79.39 -39.96 31.27 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.209 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.78 -40.24 66.09 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 171.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.65 57.41 0.74 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mm -105.54 154.88 6.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.8 p -80.9 150.26 29.11 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 120.123 1.328 . . . . 0.0 111.74 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.9 p -62.61 -37.95 88.27 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 118.901 0.773 . . . . 0.0 111.656 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.52 -32.38 73.3 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.713 -1.137 . . . . 0.0 111.164 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 m -90.61 -31.05 4.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.157 -1.401 . . . . 0.0 110.742 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.3 mt -54.38 -62.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-N 121.132 1.787 . . . . 0.0 106.824 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -46.97 -40.33 14.18 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.15 0.886 . . . . 0.0 111.368 -175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -68.8 -52.12 33.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.201 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.58 -34.14 4.7 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-O 116.927 -1.511 . . . . 0.0 112.377 -175.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -33.47 13.47 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.274 1.397 . . . . 0.0 111.418 177.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -59.26 -53.61 56.35 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.9 1.682 . . . . 0.0 107.823 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -82.51 156.29 24.1 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -91.94 99.77 12.55 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -172.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -58.86 133.42 24.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -91.02 151.61 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.6 m -134.66 134.73 41.47 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' C ' ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -133.34 160.76 36.4 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 174.34 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 t -144.32 144.97 22.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 CA-C-O 117.825 -1.083 . . . . 0.0 110.138 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -139.46 85.96 2.09 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -62.5 149.82 41.87 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -146.55 69.04 1.18 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -172.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.78 -159.6 53.24 Favored Glycine 0 C--N 1.352 1.438 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -173.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -48.01 -35.11 10.42 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.058 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.33 146.49 36.72 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 119.765 1.166 . . . . 0.0 110.783 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -121.84 162.45 20.91 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.39 72.91 1.45 Allowed 'General case' 0 C--N 1.357 0.919 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -80.82 162.26 24.1 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 117.625 -1.179 . . . . 0.0 108.275 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -152.55 156.05 38.6 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.746 1.157 . . . . 0.0 110.831 165.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -129.69 95.99 4.13 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 . . . . . 0 C--N 1.356 0.865 0 CA-C-O 116.921 -1.514 . . . . 0.0 108.019 -173.306 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.8 t60 . . . . . 0 CA--C 1.511 -0.543 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.4 m -77.07 95.99 4.33 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.65 158.38 29.76 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.53 153.55 43.69 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 121.029 1.741 . . . . 0.0 112.339 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -127.38 69.75 1.3 Allowed 'General case' 0 C--N 1.359 1.011 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -77.48 148.16 35.51 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -169.37 168.92 9.32 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.542 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -128.89 129.96 46.2 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.82 148.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -166.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.27 16.96 55.25 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-O 116.101 -2.499 . . . . 0.0 111.647 -172.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -144.45 14.29 1.6 Allowed 'General case' 0 C--N 1.361 1.09 0 CA-C-N 121.458 2.629 . . . . 0.0 116.627 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 59.88 140.76 0.01 OUTLIER 'General case' 0 C--N 1.351 0.656 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 m -168.0 156.95 9.38 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.33 -1.319 . . . . 0.0 109.043 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -78.64 143.85 35.98 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.6 mt -138.71 144.2 30.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-O 117.604 -1.188 . . . . 0.0 108.725 -175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -83.56 -32.69 25.68 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.656 1.117 . . . . 0.0 111.646 -173.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.7 p . . . . . 0 CA--C 1.505 -0.766 0 O-C-N 123.727 0.642 . . . . 0.0 111.275 168.523 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -107.61 150.91 26.32 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.677 -1.154 . . . . 0.0 107.913 172.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . . . -158.27 170.91 21.2 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.42 -1.276 . . . . 0.0 111.36 -171.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 m -112.08 100.85 9.18 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.79 145.03 12.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 105.971 -1.862 . . . . 0.0 105.971 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -136.42 -178.08 5.0 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 171.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -129.24 170.81 13.12 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -150.61 57.94 0.93 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.347 170.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.62 -103.59 3.05 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 117.609 -1.662 . . . . 0.0 109.739 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.53 42.15 1.98 Allowed Glycine 0 C--N 1.356 1.645 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -161.47 155.75 22.6 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.094 -0.955 . . . . 0.0 108.765 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.1 tp -117.64 152.19 35.7 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.214 -171.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.3 t -133.58 145.81 32.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.016 -1.468 . . . . 0.0 109.934 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.2 p -155.35 157.7 3.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 120.45 1.477 . . . . 0.0 110.126 170.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -147.48 125.19 11.83 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 34.1 m-85 -111.04 161.02 26.78 Favored Pre-proline 0 C--N 1.354 0.784 0 CA-C-O 115.793 -2.051 . . . . 0.0 106.189 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -78.57 61.39 7.93 Favored 'Trans proline' 0 C--N 1.358 1.064 0 CA-C-N 124.212 2.54 . . . . 0.0 109.273 173.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -170.23 -66.45 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -174.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.557 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 5.3 p90 -127.06 -174.58 3.19 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.36 155.85 45.89 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.71 157.05 34.44 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.962 1.255 . . . . 0.0 109.881 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 p -145.86 103.58 3.78 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.3 m -81.31 163.46 22.9 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -159.14 112.95 2.34 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.697 -1.144 . . . . 0.0 109.888 -169.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -81.27 149.01 5.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 119.682 1.128 . . . . 0.0 108.445 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.41 76.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.63 -85.74 0.75 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -136.92 58.11 1.74 Allowed 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -169.14 138.05 2.05 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 116.894 -1.526 . . . . 0.0 107.141 -172.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.2 tp -104.61 134.64 47.44 Favored 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 m -135.99 160.87 38.67 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 175.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -149.5 171.33 16.78 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.761 -1.114 . . . . 0.0 109.836 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.3 110.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.0 p -80.62 -179.52 7.26 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.077 -177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.7 m -165.08 148.48 8.44 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.194 -1.384 . . . . 0.0 111.151 171.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -156.15 67.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.868 0 CA-C-N 119.939 1.245 . . . . 0.0 110.595 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 55.53 29.31 53.47 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-O 117.779 -1.567 . . . . 0.0 113.198 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.67 -54.0 0.38 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.8 1.8 . . . . 0.0 111.57 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.88 155.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.1 m -145.32 145.11 31.09 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 115.81 -2.043 . . . . 0.0 106.501 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -132.66 105.81 7.41 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.626 1.557 . . . . 0.0 109.511 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -88.77 162.25 16.33 Favored 'General case' 0 C--N 1.361 1.099 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.342 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -160.0 173.67 15.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 117.648 -1.168 . . . . 0.0 109.422 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.82 81.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 -174.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.1 m -78.25 108.53 11.65 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -71.37 170.0 14.11 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 120.383 1.447 . . . . 0.0 110.113 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -105.22 83.02 1.91 Allowed 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.187 0.93 . . . . 0.0 108.566 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.61 -156.21 0.35 Allowed 'General case' 0 C--N 1.35 0.59 0 CA-C-O 116.539 -1.696 . . . . 0.0 106.731 -174.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.695 0 CA-C-N 120.971 1.714 . . . . 0.0 109.803 179.653 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 m -158.1 116.43 3.07 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.524 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.83 -173.49 35.14 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-N 120.509 1.504 . . . . 0.0 111.954 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -110.73 143.03 41.86 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -147.58 169.06 20.42 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.394 -1.289 . . . . 0.0 110.804 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.24 144.98 21.4 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.045 1.293 . . . . 0.0 110.704 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mtt -70.96 85.38 0.7 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 119.082 0.855 . . . . 0.0 109.687 -172.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -53.75 -46.65 70.95 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.434 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.5 t -146.57 160.77 41.72 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.256 -0.878 . . . . 0.0 109.996 -174.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -131.25 163.78 27.03 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.365 -1.302 . . . . 0.0 109.208 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -119.39 -59.91 1.78 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.983 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -123.28 43.58 2.91 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.507 1.049 . . . . 0.0 109.365 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 1.1 t80 -67.72 -47.14 70.2 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.492 -0.766 . . . . 0.0 112.975 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -62.4 -66.04 0.6 Allowed 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.749 1.159 . . . . 0.0 111.144 -169.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.21 -39.6 60.41 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.634 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.437 ' CZ ' ' OG ' ' A' ' 112' ' ' SER . 69.1 t80 -53.06 -48.52 67.63 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.948 1.249 . . . . 0.0 111.424 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -42.31 95.75 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -58.0 -40.96 82.03 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.271 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.57 -50.72 9.62 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.507 1.048 . . . . 0.0 108.755 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.0 tp -41.96 -40.86 2.32 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.945 -0.55 . . . . 0.0 109.942 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.4 65.65 0.64 Allowed Glycine 0 C--N 1.355 1.588 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 171.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.7 mm -121.96 159.81 24.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.992 -1.004 . . . . 0.0 108.695 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -83.69 132.06 34.89 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.711 -1.137 . . . . 0.0 112.518 -171.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.9 p -47.32 -36.11 8.93 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.497 1.044 . . . . 0.0 112.651 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -57.59 -51.93 67.5 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.197 0.908 . . . . 0.0 109.294 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -78.08 -26.33 14.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 117.488 -1.244 . . . . 0.0 110.657 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.04 -54.61 31.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -58.08 -34.48 70.18 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.401 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 34' ' ' PHE . 51.7 mtmt -70.81 -67.41 0.51 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 177.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.67 -29.51 0.3 Allowed 'General case' 0 C--N 1.349 0.554 0 CA-C-N 119.843 1.201 . . . . 0.0 112.865 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -69.81 -61.81 1.63 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 119.826 1.194 . . . . 0.0 109.387 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -76.32 -49.97 15.51 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -174.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LYS . 84.0 t80 -53.86 114.4 1.56 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 175.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -76.94 138.0 39.41 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.1 mt -101.17 147.89 7.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.9 t -104.22 156.06 5.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 m -136.14 131.1 34.27 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 117.53 -1.224 . . . . 0.0 108.389 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -124.5 148.51 47.68 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.69 142.03 29.04 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.405 -1.283 . . . . 0.0 109.868 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -139.19 81.6 1.85 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 171.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.48 146.02 52.69 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.493 -1.241 . . . . 0.0 109.578 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -113.16 -61.31 1.76 Allowed 'General case' 0 C--N 1.358 0.972 0 CA-C-N 119.131 0.878 . . . . 0.0 111.202 -173.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.88 69.47 0.04 OUTLIER Glycine 0 C--N 1.355 1.597 0 CA-C-N 119.773 1.17 . . . . 0.0 110.713 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 96.09 -50.78 0.01 OUTLIER 'General case' 0 C--N 1.352 0.693 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 -170.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -77.69 152.92 33.49 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 170.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 9.7 m-85 -128.07 163.45 24.56 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -134.27 65.25 1.58 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -69.01 164.47 22.29 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.8 m -155.33 159.22 39.79 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.547 164.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -152.0 144.28 24.0 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 116.946 -1.502 . . . . 0.0 107.803 173.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 C--N 1.358 0.942 0 CA-C-O 117.332 -1.318 . . . . 0.0 111.714 -161.412 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.6 t60 . . . . . 0 CA--C 1.51 -0.588 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.7 m -93.03 105.25 17.38 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 169.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 ttp -79.98 158.51 26.55 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 172.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.06 154.26 49.28 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 117.511 -1.233 . . . . 0.0 110.195 172.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -134.81 72.27 1.45 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -70.96 150.28 45.84 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 171.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 14.0 p90 -165.68 164.34 19.02 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.129 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.6 m -119.3 134.02 55.43 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.5 m -91.73 145.89 6.96 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 -171.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.34 19.57 76.12 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 117.205 -1.886 . . . . 0.0 109.826 -172.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -141.71 -64.3 0.44 Allowed 'General case' 0 C--N 1.36 1.033 0 CA-C-N 119.826 1.813 . . . . 0.0 110.697 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.259 8.5 pt-20 118.74 157.73 0.0 OUTLIER 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.886 1.274 . . . . 0.0 108.506 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.9 m -156.57 165.44 36.28 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.602 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -77.55 85.41 3.91 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.5 mt -84.98 133.36 29.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 -173.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -86.5 -19.03 30.13 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 116.573 -1.679 . . . . 0.0 112.519 -171.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.7 p . . . . . 0 C--N 1.353 0.738 0 CA-C-N 121.112 1.778 . . . . 0.0 112.686 169.246 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -108.62 139.16 43.79 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.64 143.9 20.09 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 116.873 -1.537 . . . . 0.0 110.684 -163.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -94.89 107.45 19.48 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.474 -1.251 . . . . 0.0 111.26 -172.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.5 t -82.73 146.34 7.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 175.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -141.77 -171.53 3.36 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.1 ttm -143.93 149.29 36.6 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.316 -174.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -128.77 76.13 1.69 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 171.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.06 -111.65 4.32 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 117.6 -1.666 . . . . 0.0 109.742 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.87 36.46 3.88 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-N 119.468 1.634 . . . . 0.0 110.931 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -144.75 152.79 40.91 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.727 -1.606 . . . . 0.0 107.336 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tp -117.68 152.01 36.09 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.34 1.427 . . . . 0.0 110.566 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.1 t -130.44 145.66 35.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 CA-C-O 116.741 -1.599 . . . . 0.0 110.105 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -154.65 157.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.518 1.508 . . . . 0.0 110.208 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -142.97 128.85 19.45 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.856 -1.068 . . . . 0.0 108.321 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -104.06 160.86 24.71 Favored Pre-proline 0 C--N 1.354 0.792 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -76.49 55.13 4.61 Favored 'Trans proline' 0 C--N 1.355 0.896 0 CA-C-N 124.169 2.525 . . . . 0.0 110.619 173.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -168.49 -71.98 0.02 OUTLIER 'General case' 0 C--N 1.356 0.89 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -174.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -111.1 178.33 4.38 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -135.57 156.91 48.12 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 176.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -153.99 153.5 32.09 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.706 1.139 . . . . 0.0 109.329 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.01 103.36 4.76 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.3 m -77.31 164.0 25.94 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -158.03 129.98 6.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.07 -1.443 . . . . 0.0 111.517 -174.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.11 147.83 7.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 119.838 1.199 . . . . 0.0 108.075 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.7 t -139.64 77.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.25 -79.65 0.89 Allowed Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.03 58.89 1.63 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -169.4 143.7 2.9 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 116.703 -1.617 . . . . 0.0 108.163 -174.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.5 tp -111.42 137.83 48.7 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 104.077 -2.564 . . . . 0.0 104.077 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.27 150.29 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -138.63 165.25 27.39 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.265 -1.35 . . . . 0.0 108.446 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -148.11 98.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.437 ' OG ' ' CZ ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -76.36 175.91 8.68 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.812 -1.089 . . . . 0.0 108.081 -176.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.4 m -164.76 144.93 7.42 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-O 116.361 -1.78 . . . . 0.0 111.267 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.7 tt -155.96 65.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-N 121.028 1.74 . . . . 0.0 110.957 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 48.9 44.8 31.93 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-O 118.598 -1.112 . . . . 0.0 112.358 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 154.13 -45.34 0.56 Allowed Glycine 0 C--N 1.354 1.549 0 CA-C-O 118.491 -1.172 . . . . 0.0 112.365 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.5 t -119.33 158.23 20.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.18 -174.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.4 m -130.93 171.41 13.22 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.418 -1.277 . . . . 0.0 108.132 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -144.25 91.74 2.24 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.096 1.316 . . . . 0.0 108.422 167.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -83.2 151.89 25.47 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-O 118.026 -0.988 . . . . 0.0 111.102 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.57 169.18 23.29 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-O 118.161 -0.923 . . . . 0.0 108.731 -174.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.14 79.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.4 m -70.36 89.43 0.67 Allowed 'General case' 0 C--N 1.353 0.742 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -69.44 171.84 8.11 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 115.756 -2.068 . . . . 0.0 108.568 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.417 ' CZ ' ' O ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -107.65 105.52 15.43 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.47 1.941 . . . . 0.0 106.449 -173.173 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.12 -155.4 0.05 Allowed 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.669 -1.634 . . . . 0.0 106.814 -169.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.686 0 CA-C-N 121.085 1.766 . . . . 0.0 110.752 176.37 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 CA--C 1.511 -0.534 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.1 m -164.95 115.53 1.14 Allowed 'General case' 0 C--N 1.349 0.587 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.45 172.54 24.76 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 120.079 1.309 . . . . 0.0 111.101 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 6' ' ' PHE . 15.4 ptmt -88.31 159.73 17.95 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 55.0 m-85 -160.68 170.9 19.86 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 116.775 -1.584 . . . . 0.0 110.931 177.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -153.35 147.57 25.75 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.937 1.699 . . . . 0.0 111.676 167.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 ttp -64.18 145.67 55.57 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.03 -60.96 0.16 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.034 1.288 . . . . 0.0 109.705 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 m -86.35 161.66 18.59 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 171.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -170.5 146.52 2.79 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 116.825 -1.56 . . . . 0.0 106.819 -172.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -159.93 158.77 31.37 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.99 1.723 . . . . 0.0 111.109 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 49.48 27.02 1.87 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.847 1.203 . . . . 0.0 112.229 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -42.15 11.46 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 118.574 0.625 . . . . 0.0 110.406 -173.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -52.77 -56.16 17.65 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.775 0.716 . . . . 0.0 110.3 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.42 -49.13 76.7 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.029 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -46.15 -38.57 8.38 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 119.923 1.238 . . . . 0.0 111.404 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 41.8 mtt -78.5 -34.86 47.15 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.78 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -64.14 -38.83 92.46 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.728 1.149 . . . . 0.0 108.766 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.3 -50.52 53.01 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.553 1.069 . . . . 0.0 108.356 175.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 tp -53.92 -40.1 66.43 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.944 -173.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.97 73.77 0.83 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.7 mm -133.8 158.97 42.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 117.741 -1.123 . . . . 0.0 108.942 -173.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 t -91.21 140.64 29.61 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 119.3 0.955 . . . . 0.0 111.656 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.7 p -51.7 -36.33 46.25 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -170.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -61.09 -47.5 86.04 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.003 1.274 . . . . 0.0 108.965 -176.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -75.77 -22.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 CA-C-O 117.266 -1.35 . . . . 0.0 111.178 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.65 -57.89 9.79 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 121.195 1.816 . . . . 0.0 106.44 171.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -56.94 -33.19 66.76 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.491 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -66.34 -51.87 52.87 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.2 -44.4 0.86 Allowed 'General case' 0 C--N 1.355 0.836 0 O-C-N 123.224 0.327 . . . . 0.0 111.804 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -67.95 -48.39 66.01 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.981 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -92.11 47.43 1.33 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.029 0.831 . . . . 0.0 110.015 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -152.19 116.6 5.01 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.609 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -87.86 75.06 8.93 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 mm -44.89 128.67 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-O 116.843 -1.551 . . . . 0.0 107.12 176.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.1 t -85.53 154.14 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.919 0 N-CA-C 105.512 -2.033 . . . . 0.0 105.512 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 m -142.88 136.72 28.94 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -136.42 145.65 45.52 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t -139.51 147.39 24.27 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.662 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -144.62 93.71 2.45 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -63.7 147.7 50.97 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -143.96 66.59 1.28 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -170.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.88 -159.12 53.36 Favored Glycine 0 C--N 1.352 1.444 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 -172.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -49.75 -34.64 19.72 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.773 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.92 151.25 33.85 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.899 1.227 . . . . 0.0 110.838 174.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -127.52 164.49 21.84 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.62 83.72 2.0 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 172.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 -84.19 166.81 17.26 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.726 -1.13 . . . . 0.0 109.06 -174.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 m -153.18 153.63 33.12 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.86 166.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -133.38 84.95 2.17 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 . . . . . 0 C--N 1.356 0.886 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.309 -168.188 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 CA--C 1.507 -0.68 0 N-CA-C 105.167 -2.16 . . . . 0.0 105.167 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 m -80.46 103.61 10.44 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 172.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 ttp -82.23 150.97 27.05 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.19 150.52 35.07 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 121.371 1.896 . . . . 0.0 112.894 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -132.11 75.26 1.63 Allowed 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.127 0.892 . . . . 0.0 108.968 -175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -74.5 149.68 40.17 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -167.13 169.35 12.81 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.129 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -128.94 132.77 47.66 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.42 147.66 5.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -165.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.41 10.15 56.67 Favored Glycine 0 C--N 1.351 1.398 0 CA-C-O 116.195 -2.447 . . . . 0.0 111.562 -172.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -137.36 1.11 2.37 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 120.992 2.396 . . . . 0.0 116.112 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 63.28 138.49 0.02 OUTLIER 'General case' 0 C--N 1.351 0.646 0 CA-C-N 120.823 1.647 . . . . 0.0 114.29 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.4 m -165.12 157.06 15.29 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.142 -1.409 . . . . 0.0 108.347 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -75.2 144.1 42.84 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.286 1.403 . . . . 0.0 108.04 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -139.93 144.96 27.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.168 -1.396 . . . . 0.0 107.366 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -89.37 -32.84 17.11 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.217 -1.373 . . . . 0.0 111.457 -172.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.503 -0.837 0 CA-C-N 119.593 1.088 . . . . 0.0 110.721 172.463 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 CA--C 1.509 -0.609 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -134.08 148.32 51.01 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.408 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . . . -156.36 162.92 40.02 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 117.163 -1.398 . . . . 0.0 110.324 -172.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.2 m -101.47 96.65 7.28 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.22 144.38 13.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 105.442 -2.058 . . . . 0.0 105.442 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -139.73 176.7 8.51 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 173.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.1 mtp -132.14 170.7 14.63 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -160.53 70.77 0.42 Allowed 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.114 0.884 . . . . 0.0 111.008 169.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.08 -110.24 3.8 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-O 117.464 -1.742 . . . . 0.0 108.877 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.74 42.03 2.04 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 108.624 -1.791 . . . . 0.0 108.624 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.34 152.55 32.22 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.023 0.912 . . . . 0.0 108.867 -176.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.7 tp -123.32 154.58 38.7 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.41 -168.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.0 t -138.49 143.55 32.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-O 116.505 -1.712 . . . . 0.0 109.965 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.18 156.03 5.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 120.855 1.661 . . . . 0.0 110.423 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -149.37 118.53 6.78 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.82 -1.086 . . . . 0.0 108.407 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.515 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 17.9 m-85 -107.26 158.02 34.11 Favored Pre-proline 0 C--N 1.357 0.903 0 CA-C-O 115.784 -2.055 . . . . 0.0 106.04 -177.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.1 71.03 5.21 Favored 'Trans proline' 0 C--N 1.358 1.046 0 CA-C-N 123.825 2.402 . . . . 0.0 107.547 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 178.06 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.344 -170.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.515 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 10.2 p90 -155.53 -178.54 7.35 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -136.6 155.23 50.2 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.55 150.93 27.0 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.959 -1.02 . . . . 0.0 108.713 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.32 110.53 6.6 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 t -84.59 163.88 19.04 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 120.166 1.348 . . . . 0.0 108.429 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -159.97 100.42 1.41 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.531 1.06 . . . . 0.0 110.082 -170.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.55 145.99 13.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 CA-C-O 117.778 -1.106 . . . . 0.0 110.33 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.25 82.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.961 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 62.31 -85.9 0.04 OUTLIER Glycine 0 C--N 1.355 1.597 0 CA-C-O 118.69 -1.061 . . . . 0.0 110.456 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.51 55.96 1.66 Allowed 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.98 171.16 18.77 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tp -140.65 117.57 11.11 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 104.87 -2.271 . . . . 0.0 104.87 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.47 160.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 120.621 1.555 . . . . 0.0 108.985 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -139.2 157.26 46.24 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.313 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.6 t -135.31 95.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.77 172.39 13.18 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.4 m -165.97 150.98 8.45 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 116.331 -1.795 . . . . 0.0 110.552 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.7 tt -159.32 -52.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.822 0 CA-C-N 120.895 1.68 . . . . 0.0 114.368 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.41 69.8 0.23 Allowed Glycine 0 C--N 1.353 1.503 0 CA-C-N 120.826 1.648 . . . . 0.0 109.885 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.37 26.89 72.49 Favored Glycine 0 C--N 1.353 1.476 0 CA-C-O 118.165 -1.353 . . . . 0.0 110.482 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.5 t -147.42 149.56 15.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -139.28 164.36 30.04 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.442 -1.266 . . . . 0.0 107.994 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -133.5 94.95 3.4 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 168.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -78.52 147.03 34.0 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.261 0.937 . . . . 0.0 109.374 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -153.91 152.31 30.46 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 116.257 -1.83 . . . . 0.0 108.109 -171.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 16.1 t -136.8 83.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.813 0 CA-C-N 120.235 1.38 . . . . 0.0 108.631 -168.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 m -72.2 109.41 5.94 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.43 176.89 2.12 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 116.784 -1.579 . . . . 0.0 110.017 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -106.85 72.69 0.91 Allowed 'General case' 0 C--N 1.36 1.044 0 CA-C-N 120.173 1.351 . . . . 0.0 111.427 -169.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.55 -158.99 0.14 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.641 0 CA-C-N 120.83 1.65 . . . . 0.0 109.721 174.573 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 . . . . . 0 CA--C 1.512 -0.511 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -164.34 119.02 1.45 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.122 -1.418 . . . . 0.0 107.326 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.3 -178.47 27.74 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 120.38 1.445 . . . . 0.0 110.972 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -99.59 145.33 27.67 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -144.86 163.62 33.54 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 116.505 -1.712 . . . . 0.0 108.888 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -144.79 132.86 21.48 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.752 1.614 . . . . 0.0 109.429 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttp -52.88 130.22 32.61 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.753 -1.594 . . . . 0.0 107.87 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -106.88 -52.61 2.74 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.299 1.409 . . . . 0.0 109.133 172.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.7 p -135.63 166.46 23.19 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.305 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -132.06 171.94 13.0 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -156.07 133.63 10.95 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.87 -1.538 . . . . 0.0 108.022 174.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 61.0 14.23 5.17 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.131 1.332 . . . . 0.0 113.995 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 2.9 p90 -71.98 -40.68 68.43 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.536 1.516 . . . . 0.0 110.372 177.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 8.2 t0 -60.6 -49.45 77.48 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 120.075 -0.65 . . . . 0.0 109.257 -170.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.69 -47.08 85.18 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.934 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -52.31 -39.05 60.08 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 118.957 -1.097 . . . . 0.0 111.048 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -42.55 76.49 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -62.82 -32.12 73.26 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.036 -174.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -77.87 -54.51 6.23 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 119.793 1.179 . . . . 0.0 108.76 171.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.4 tp -50.41 -41.16 51.92 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.587 -169.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.78 70.62 0.62 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -132.78 160.99 42.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.907 -172.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -80.06 156.91 26.88 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.29 0.95 . . . . 0.0 113.542 -170.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.7 p -61.15 -43.6 98.63 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 119.198 -0.429 . . . . 0.0 110.497 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.17 -52.23 61.83 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.049 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 m -74.73 -33.36 30.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.874 -174.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.9 mt -51.52 -53.91 14.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-N 119.907 1.231 . . . . 0.0 108.815 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -58.63 -34.33 71.06 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 119.501 -0.88 . . . . 0.0 110.509 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.77 -51.41 22.83 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.14 -0.933 . . . . 0.0 109.496 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.26 -46.16 1.49 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.846 0.748 . . . . 0.0 110.319 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -62.13 -58.99 5.74 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.479 -0.772 . . . . 0.0 109.041 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -100.81 53.0 0.86 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.332 0.515 . . . . 0.0 111.073 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.25 115.18 6.09 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.413 -1.279 . . . . 0.0 109.166 174.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -71.47 78.88 0.78 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.056 1.298 . . . . 0.0 108.087 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.1 mm -51.28 145.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 117.837 -1.078 . . . . 0.0 108.115 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -98.51 153.71 4.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.2 m -143.84 143.76 31.46 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -141.05 146.69 37.51 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.85 150.28 19.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-N 119.954 1.252 . . . . 0.0 111.646 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -144.84 106.38 4.24 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 171.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -82.65 87.47 6.73 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -81.33 70.42 8.18 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.52 -155.82 52.47 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 119.968 -1.11 . . . . 0.0 111.701 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -48.32 -32.87 7.99 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.654 -1.165 . . . . 0.0 110.751 176.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -84.07 150.88 25.29 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.217 1.371 . . . . 0.0 109.079 174.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -124.78 162.99 23.09 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.21 79.53 1.81 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 174.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -88.09 161.63 17.22 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 117.769 -1.11 . . . . 0.0 108.879 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.0 m -152.66 152.3 31.59 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 117.364 -1.303 . . . . 0.0 111.295 165.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -126.83 83.28 2.15 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 . . . . . 0 CA--C 1.503 -0.851 0 CA-C-O 117.697 -1.144 . . . . 0.0 109.125 -169.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 CA--C 1.51 -0.588 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.8 m -94.28 102.68 14.69 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 170.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.1 ttp -77.78 151.27 34.11 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 104.112 -2.551 . . . . 0.0 104.112 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.84 154.22 39.19 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.648 2.022 . . . . 0.0 113.854 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -128.29 70.93 1.37 Allowed 'General case' 0 C--N 1.36 1.056 0 O-C-N 123.955 0.784 . . . . 0.0 109.629 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -74.23 146.25 43.45 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 169.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -171.22 169.79 6.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.442 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.3 m -126.14 138.21 53.65 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.36 153.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -168.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.34 22.32 58.45 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-O 117.405 -1.775 . . . . 0.0 109.779 -171.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -141.05 -64.13 0.46 Allowed 'General case' 0 C--N 1.359 1.009 0 CA-C-N 119.471 1.636 . . . . 0.0 109.995 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.25 10.9 pt-20 119.03 155.31 0.0 OUTLIER 'General case' 0 C--N 1.359 0.986 0 C-N-CA 124.714 1.206 . . . . 0.0 107.785 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -163.02 166.05 24.14 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.984 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -77.81 139.66 39.34 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 170.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.1 mt -135.26 142.07 40.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 120.085 1.312 . . . . 0.0 107.657 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -75.42 -41.05 56.97 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.036 1.289 . . . . 0.0 111.866 -171.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 p . . . . . 0 C--N 1.35 0.59 0 O-C-N 124.139 0.899 . . . . 0.0 112.616 178.108 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.682 -1.151 . . . . 0.0 107.932 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -102.8 136.49 42.53 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 170.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -144.99 158.87 43.68 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 116.532 -1.699 . . . . 0.0 108.824 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.3 m -102.43 103.32 13.7 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.821 1.191 . . . . 0.0 108.211 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -76.56 146.5 8.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -139.69 177.91 7.61 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -133.21 168.35 18.7 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 118.405 0.548 . . . . 0.0 110.097 -173.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.5 67.71 1.22 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.443 1.089 . . . . 0.0 108.494 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.82 -90.05 0.77 Allowed Glycine 0 C--N 1.354 1.541 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.545 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -122.54 41.77 1.76 Allowed Glycine 0 C--N 1.355 1.634 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.06 154.56 37.23 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.851 -1.547 . . . . 0.0 107.409 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 tp -126.51 153.45 45.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.403 1.456 . . . . 0.0 112.259 -166.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.4 t -139.33 145.02 27.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.638 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 p -155.54 157.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 120.368 1.44 . . . . 0.0 110.358 171.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -148.57 120.0 7.92 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.458 -1.258 . . . . 0.0 107.747 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.449 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 15.8 m-85 -107.41 157.81 34.73 Favored Pre-proline 0 C--N 1.357 0.921 0 CA-C-O 115.917 -1.992 . . . . 0.0 106.575 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.39 73.51 2.74 Favored 'Trans proline' 0 C--N 1.358 1.037 0 CA-C-N 123.381 2.243 . . . . 0.0 107.672 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 177.07 -50.46 0.01 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.559 -174.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.449 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 7.4 p90 -152.89 179.88 8.26 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.233 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -132.25 153.99 50.09 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 119.659 1.118 . . . . 0.0 108.011 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -160.18 151.44 19.42 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 118.228 -0.892 . . . . 0.0 109.73 -174.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.78 110.69 4.78 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -172.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -90.32 164.89 14.18 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.273 1.397 . . . . 0.0 108.47 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -154.86 131.58 10.68 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.363 -1.303 . . . . 0.0 109.924 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 mm -93.32 147.74 5.25 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.1 t -137.18 75.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.05 -85.32 0.8 Allowed Glycine 0 C--N 1.354 1.574 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -135.05 60.56 1.7 Allowed 'General case' 0 C--N 1.353 0.735 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -168.82 142.58 3.01 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.102 -1.428 . . . . 0.0 107.401 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.2 tp -114.44 137.58 51.66 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.49 168.85 23.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 119.791 1.178 . . . . 0.0 108.83 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -153.46 151.97 30.46 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.586 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.41 103.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.6 p -78.07 -179.42 6.12 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.518 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.5 m -168.9 155.43 6.84 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 116.308 -1.806 . . . . 0.0 109.985 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.7 tt -155.4 -52.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 120.988 1.722 . . . . 0.0 112.989 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -140.91 -77.43 0.05 OUTLIER Glycine 0 C--N 1.354 1.557 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.99 34.36 2.99 Favored Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.6 t -144.77 151.86 15.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -137.43 171.1 14.98 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.274 -1.346 . . . . 0.0 107.668 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.76 86.63 2.23 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.596 1.544 . . . . 0.0 109.591 170.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.06 151.2 44.78 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.421 1.464 . . . . 0.0 109.223 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -163.3 152.56 14.79 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 116.208 -1.853 . . . . 0.0 109.948 -172.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 36.0 m -134.64 98.53 2.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-N 120.589 1.541 . . . . 0.0 110.294 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.9 m -87.18 99.65 12.1 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.36 171.24 0.82 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.333 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -107.31 95.65 5.86 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.62 -158.3 0.31 Allowed 'General case' 0 C--N 1.35 0.629 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -171.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.719 0 CA-C-N 120.272 1.397 . . . . 0.0 111.21 -177.702 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 CA--C 1.513 -0.455 0 CA-C-O 119.261 -0.4 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m -164.27 121.73 1.71 Allowed 'General case' 0 C--N 1.351 0.641 0 CA-C-O 117.343 -1.313 . . . . 0.0 108.05 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.55 178.23 26.1 Favored Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.31 -1.272 . . . . 0.0 110.747 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -94.05 148.06 22.53 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 172.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -147.28 169.92 18.37 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 116.513 -1.708 . . . . 0.0 109.149 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -157.04 143.98 18.52 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 121.405 1.911 . . . . 0.0 111.354 171.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.2 mtm -62.5 158.99 16.57 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.695 0.68 . . . . 0.0 110.611 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -159.81 -59.19 0.06 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.11 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m -107.42 164.47 12.17 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 30.4 tt0 -161.38 155.45 22.4 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.331 -1.318 . . . . 0.0 110.759 -166.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -159.99 135.31 8.14 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-O 116.938 -1.506 . . . . 0.0 111.31 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 53.45 41.3 32.12 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-N 121.242 1.837 . . . . 0.0 110.4 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -96.73 -53.38 3.57 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 118.476 -0.774 . . . . 0.0 109.299 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.98 -58.0 8.46 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.553 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.32 -51.09 57.52 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 119.442 1.019 . . . . 0.0 109.823 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -52.99 -49.23 66.6 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 118.717 -1.193 . . . . 0.0 111.806 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 32.5 mmm -75.19 -48.42 23.62 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 118.615 0.643 . . . . 0.0 109.861 -173.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -38.67 -47.4 1.34 Allowed 'General case' 0 C--N 1.351 0.659 0 O-C-N 123.31 0.381 . . . . 0.0 110.913 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.38 -36.09 17.98 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.103 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -53.14 -42.07 65.73 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.059 0.845 . . . . 0.0 108.773 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.42 66.21 0.19 Allowed Glycine 0 C--N 1.356 1.65 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.4 mm -134.38 157.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-O 117.478 -1.248 . . . . 0.0 108.774 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 t -91.4 137.38 32.41 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.618 1.099 . . . . 0.0 112.275 -175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.2 t -48.86 -41.63 33.79 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -173.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -57.64 -46.6 83.95 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.018 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.86 -27.74 18.67 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.282 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.23 -56.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -56.38 -27.87 57.48 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.347 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.61 -61.45 2.51 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.278 1.399 . . . . 0.0 109.33 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.67 -31.29 47.13 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 121.146 1.794 . . . . 0.0 111.339 -173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -67.19 -61.66 1.81 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.261 -0.975 . . . . 0.0 109.484 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -69.21 -55.2 11.28 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.793 -177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -71.43 134.1 46.37 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.454 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -81.4 96.69 7.43 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.84 141.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 106.236 -1.765 . . . . 0.0 106.236 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.9 t -94.77 154.2 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.892 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.7 m -136.13 121.43 19.18 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 117.083 -1.437 . . . . 0.0 108.138 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -117.47 152.89 34.11 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.3 t -144.36 147.97 18.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-O 118.097 -0.954 . . . . 0.0 108.769 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -146.59 91.86 2.09 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 164.6 23.67 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.256 -173.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -147.48 67.52 1.13 Allowed 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -171.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.79 -151.06 49.6 Favored Glycine 0 C--N 1.351 1.401 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 -173.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -48.28 -38.41 18.7 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.379 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.25 156.07 31.69 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.65 1.113 . . . . 0.0 110.833 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.94 164.36 26.3 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.904 0.775 . . . . 0.0 109.854 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -135.99 67.93 1.46 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -71.39 162.82 28.82 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -174.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 m -156.7 161.12 39.85 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 119.02 -1.072 . . . . 0.0 110.05 164.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -151.71 143.64 23.8 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 116.838 -1.554 . . . . 0.0 107.938 172.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 C--N 1.358 0.971 0 CA-C-O 117.305 -1.331 . . . . 0.0 111.954 -160.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.422 ' CD2' ' C ' ' A' ' 57' ' ' HIS . 34.9 t60 . . . . . 0 CA--C 1.513 -0.478 0 CA-C-O 117.744 -1.122 . . . . 0.0 109.041 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 m -135.5 109.41 8.15 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 168.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.4 ttp -76.28 149.38 37.12 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 173.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -140.19 144.18 36.47 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 120.126 1.33 . . . . 0.0 110.556 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -132.33 73.77 1.55 Allowed 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -173.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.73 151.28 46.86 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 170.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -166.26 168.79 14.85 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.784 -1.103 . . . . 0.0 111.252 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 m -126.26 131.08 51.98 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -89.87 143.09 11.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.42 19.42 74.43 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-O 117.311 -1.827 . . . . 0.0 109.642 -175.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -137.77 -71.88 0.43 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 119.461 1.63 . . . . 0.0 109.518 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.273 14.1 pt-20 124.61 150.56 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -165.4 159.98 17.58 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.785 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -67.21 132.11 47.12 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 106.328 -1.731 . . . . 0.0 106.328 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.0 mt -130.7 134.54 61.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -87.44 123.08 31.99 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.505 -0.763 0 CA-C-N 119.425 1.012 . . . . 0.0 113.028 -168.073 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 CA--C 1.509 -0.623 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.08 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -100.86 82.26 2.38 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.417 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . . . -84.79 163.59 19.01 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 117.406 -1.283 . . . . 0.0 109.932 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.1 m -102.99 106.03 16.47 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.879 -1.058 . . . . 0.0 109.008 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.15 150.14 4.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-O 117.335 -1.317 . . . . 0.0 107.671 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -144.75 -177.67 5.63 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 38.5 ttm -139.54 148.97 43.33 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 116.954 -1.498 . . . . 0.0 108.968 -173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -141.09 62.74 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.379 1.445 . . . . 0.0 110.399 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 64.93 80.59 0.14 Allowed Glycine 0 C--N 1.353 1.526 0 C-N-CA 119.906 -1.14 . . . . 0.0 110.999 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 65.52 37.37 93.62 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -158.11 149.98 21.72 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.639 -1.648 . . . . 0.0 108.092 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tp -120.39 157.97 28.15 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.934 1.243 . . . . 0.0 109.197 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.2 t -143.47 141.73 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.832 0 CA-C-O 116.115 -1.898 . . . . 0.0 108.885 -172.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -155.89 157.03 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 121.09 1.768 . . . . 0.0 110.232 173.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -149.92 121.49 8.0 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.525 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.451 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 10.4 m-85 -112.57 157.14 41.1 Favored Pre-proline 0 C--N 1.356 0.89 0 CA-C-O 115.949 -1.977 . . . . 0.0 105.734 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.81 74.98 2.73 Favored 'Trans proline' 0 C--N 1.356 0.971 0 CA-C-N 123.672 2.347 . . . . 0.0 107.7 170.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 177.37 -51.05 0.01 OUTLIER 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.998 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 2.9 p90 -154.24 -175.99 5.66 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.87 157.47 46.74 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.63 150.71 28.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.591 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.3 108.99 8.53 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.4 m -80.91 163.81 23.07 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 117.739 -1.124 . . . . 0.0 107.996 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -161.11 130.08 4.63 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.196 -1.383 . . . . 0.0 110.835 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mm -89.67 145.84 6.92 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 CA-C-N 119.71 1.141 . . . . 0.0 107.937 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -136.23 73.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.862 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.13 -86.05 0.58 Allowed Glycine 0 C--N 1.355 1.605 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -135.26 57.7 1.79 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -170.37 133.36 1.07 Allowed 'General case' 0 C--N 1.351 0.635 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -175.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.5 tp -102.2 142.02 34.1 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 104.907 -2.257 . . . . 0.0 104.907 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.19 165.13 28.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-N 119.777 1.171 . . . . 0.0 108.564 175.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -146.14 162.1 38.72 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.188 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.6 t -138.44 93.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -72.77 170.08 15.37 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 65.9 m -166.13 156.41 12.52 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 116.927 -1.511 . . . . 0.0 110.671 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -156.1 -51.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-N 120.023 1.283 . . . . 0.0 112.587 174.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -139.0 -78.56 0.06 OUTLIER Glycine 0 C--N 1.356 1.639 0 N-CA-C 108.19 -1.964 . . . . 0.0 108.19 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.23 33.71 3.26 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 67.6 t -141.28 154.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -155.05 130.67 9.88 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 116.458 -1.734 . . . . 0.0 108.077 -174.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -100.3 95.62 6.9 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 -178.135 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -81.94 143.54 31.57 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.301 -1.333 . . . . 0.0 108.084 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -150.74 173.21 14.45 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-O 116.975 -1.488 . . . . 0.0 108.473 -173.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.9 m -141.84 112.0 2.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.8 m -94.03 102.07 14.13 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 104.906 -2.257 . . . . 0.0 104.906 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -62.54 167.02 4.67 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 116.955 -1.498 . . . . 0.0 109.804 -176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.05 95.04 5.5 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -175.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.64 -154.66 0.14 Allowed 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.116 -1.421 . . . . 0.0 107.518 -173.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.658 0 CA-C-N 120.762 1.619 . . . . 0.0 110.232 -178.343 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 . . . . . 0 CA--C 1.509 -0.597 0 CA-C-O 119.314 -0.374 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.0 m -158.14 122.28 4.12 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.909 -1.043 . . . . 0.0 108.208 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.13 -174.15 37.68 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 118.419 -1.212 . . . . 0.0 111.067 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -112.39 142.81 44.47 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 173.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -147.94 168.67 21.66 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 116.948 -1.501 . . . . 0.0 109.749 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -152.81 153.43 33.11 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 120.782 1.628 . . . . 0.0 110.927 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.5 ttm -70.51 141.77 51.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.215 -1.374 . . . . 0.0 110.507 -170.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -115.8 -57.56 2.21 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.023 0.827 . . . . 0.0 109.176 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -146.18 174.34 11.41 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.89 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -138.86 174.39 10.57 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.703 -1.142 . . . . 0.0 109.667 -173.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -118.34 -61.09 1.71 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.822 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -126.6 34.83 4.73 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.597 1.09 . . . . 0.0 110.591 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 39.4 t80 -56.72 -52.7 63.97 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 118.591 -0.719 . . . . 0.0 112.923 -176.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.24 -56.37 20.73 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.878 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.15 -51.83 67.42 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.384 -0.927 . . . . 0.0 110.01 -175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -43.62 -40.13 3.93 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.717 176.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.473 ' SD ' ' CE1' ' A' ' 14' ' ' TYR . 16.1 mtt -82.0 -32.29 30.65 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 117.51 -1.234 . . . . 0.0 110.856 -177.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -34.29 59.73 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.143 1.338 . . . . 0.0 109.937 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.0 0.84 13.16 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.209 -1.377 . . . . 0.0 114.137 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.2 tp -70.8 -48.15 55.73 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 164.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.95 62.75 0.08 OUTLIER Glycine 0 C--N 1.359 1.825 0 CA-C-O 117.691 -1.616 . . . . 0.0 110.981 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.8 mm -128.75 156.33 41.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 CA-C-N 119.009 1.404 . . . . 0.0 108.572 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 t -81.09 149.6 29.13 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.863 -1.065 . . . . 0.0 112.972 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.5 p -72.58 69.55 0.88 Allowed 'General case' 0 C--N 1.36 1.022 0 CA-C-N 119.126 0.876 . . . . 0.0 111.874 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -172.85 -56.01 0.02 OUTLIER 'General case' 0 C--N 1.35 0.589 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.1 t -55.47 -41.93 65.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.7 mt -48.37 -64.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 174.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -51.16 -31.75 20.89 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.767 -173.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -67.13 -70.02 0.28 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.401 -1.285 . . . . 0.0 110.133 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.95 -26.57 6.13 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.559 1.527 . . . . 0.0 112.316 -168.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -60.61 -63.04 1.44 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.046 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -72.02 -53.37 13.15 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.356 -0.937 . . . . 0.0 109.141 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -57.11 115.91 2.92 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.773 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -75.09 101.04 4.4 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.9 146.02 12.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.0 t -98.02 155.98 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 m -141.67 125.29 16.82 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 117.172 -1.394 . . . . 0.0 109.751 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -117.29 154.49 31.13 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.7 t -141.59 144.79 25.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.422 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -146.01 102.64 3.66 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.18 166.36 6.2 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.735 1.152 . . . . 0.0 110.822 -175.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -150.02 59.32 0.98 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.21 -151.64 50.15 Favored Glycine 0 C--N 1.353 1.502 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -49.52 -34.47 17.41 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.823 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -77.06 147.65 36.58 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.13 1.332 . . . . 0.0 110.276 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -119.99 167.59 12.01 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.38 75.53 1.53 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -81.86 162.68 22.71 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 117.514 -1.231 . . . . 0.0 109.316 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 m -155.21 149.42 25.92 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.412 -1.28 . . . . 0.0 111.806 166.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -121.95 95.44 4.66 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 . . . . . 0 CA--C 1.501 -0.91 0 CA-C-O 117.262 -1.351 . . . . 0.0 109.425 -172.396 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.9 m -79.74 97.95 6.81 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.5 ttp -75.33 152.93 38.09 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 173.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.42 153.86 40.12 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 121.026 1.739 . . . . 0.0 112.603 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -131.83 75.52 1.65 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -78.37 144.67 35.76 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 172.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -167.36 171.44 10.59 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.733 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.6 m -130.03 133.98 47.1 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.58 152.06 3.4 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 CA-C-N 118.787 0.722 . . . . 0.0 109.387 -166.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.06 23.55 59.61 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-O 116.82 -2.1 . . . . 0.0 110.339 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -139.24 -48.83 0.49 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 119.897 1.848 . . . . 0.0 114.225 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 104.21 132.18 0.01 OUTLIER 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.518 1.053 . . . . 0.0 109.222 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.6 m -160.18 159.84 32.13 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.188 -1.387 . . . . 0.0 108.575 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -71.04 145.47 49.92 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.312 1.415 . . . . 0.0 107.521 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.5 mt -134.87 139.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.93 -34.93 51.04 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 120.337 1.426 . . . . 0.0 110.527 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.281 6.3 p . . . . . 0 CA--C 1.504 -0.812 0 CA-C-O 117.658 -1.163 . . . . 0.0 108.268 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 CA--C 1.514 -0.425 0 N-CA-C 105.796 -1.927 . . . . 0.0 105.796 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -120.64 151.4 39.51 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 171.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.5 157.97 31.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 116.947 -1.502 . . . . 0.0 110.973 -169.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 m -103.44 102.88 12.81 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -75.02 144.78 11.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.44 -179.22 5.61 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 171.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -129.46 167.22 18.16 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -157.78 179.43 9.22 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.406 -1.283 . . . . 0.0 109.305 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -35.4 95.29 0.01 OUTLIER Glycine 0 C--N 1.355 1.604 0 CA-C-O 118.467 -1.185 . . . . 0.0 115.649 -173.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.91 43.61 71.36 Favored Glycine 0 C--N 1.357 1.715 0 CA-C-N 118.897 1.349 . . . . 0.0 110.295 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -164.22 158.24 18.77 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.244 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -121.66 152.67 39.08 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 117.684 -1.15 . . . . 0.0 109.923 -172.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.0 t -136.6 144.99 31.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-O 116.998 -1.477 . . . . 0.0 109.8 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.9 p -155.88 158.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 120.459 1.481 . . . . 0.0 109.869 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -144.96 124.07 12.86 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.879 -1.058 . . . . 0.0 108.233 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 68.0 m-85 -105.16 160.53 25.69 Favored Pre-proline 0 C--N 1.356 0.863 0 CA-C-O 115.831 -2.033 . . . . 0.0 106.226 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.24 69.51 4.01 Favored 'Trans proline' 0 C--N 1.357 0.99 0 CA-C-N 123.651 2.339 . . . . 0.0 110.015 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.3 p30 165.01 -72.1 0.0 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.025 -0.988 . . . . 0.0 108.483 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.538 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 3.2 p90 -101.24 172.92 6.71 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -139.24 156.18 47.26 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -154.28 152.83 30.75 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.616 1.098 . . . . 0.0 109.777 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.8 p -143.46 106.45 4.51 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.3 m -83.21 163.6 20.67 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-N 119.876 1.216 . . . . 0.0 108.429 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -159.42 131.19 6.31 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.133 -1.413 . . . . 0.0 109.704 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.6 mm -93.18 149.17 4.33 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 CA-C-N 119.99 1.268 . . . . 0.0 107.797 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.8 t -138.19 76.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.89 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.76 -85.35 0.76 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -136.03 59.37 1.71 Allowed 'General case' 0 C--N 1.354 0.781 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -170.13 143.22 2.42 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.066 -1.445 . . . . 0.0 107.515 -172.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.0 tp -110.9 137.31 48.7 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 m -134.47 160.4 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 CA-C-N 119.782 1.174 . . . . 0.0 108.349 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -139.42 167.47 22.0 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.823 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.3 t -143.27 101.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-O 116.427 -1.749 . . . . 0.0 106.63 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 171.44 10.42 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.043 1.747 . . . . 0.0 106.759 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.5 m -165.1 149.73 9.05 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 116.028 -1.939 . . . . 0.0 110.591 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.9 tt -161.72 -48.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 120.92 1.691 . . . . 0.0 114.789 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.49 75.79 0.12 Allowed Glycine 0 C--N 1.354 1.557 0 CA-C-N 121.246 1.839 . . . . 0.0 110.424 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.59 26.64 72.66 Favored Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.161 -1.355 . . . . 0.0 110.684 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.4 152.95 14.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 83.2 m -151.66 114.74 4.72 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -102.35 87.27 2.99 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 119.629 1.104 . . . . 0.0 108.065 -175.494 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.5 161.99 18.3 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.107 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -165.88 155.69 12.38 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 115.993 -1.956 . . . . 0.0 109.522 -162.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.1 m -134.58 83.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-N 120.921 1.692 . . . . 0.0 111.636 -170.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.1 m -69.5 131.93 45.5 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.575 1.534 . . . . 0.0 107.367 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -90.92 167.29 12.53 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 120.639 1.563 . . . . 0.0 107.241 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -102.99 79.62 1.78 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.959 1.254 . . . . 0.0 109.366 -169.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.94 -156.94 0.23 Allowed 'General case' 0 C--N 1.352 0.707 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -173.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.633 0 CA-C-N 120.511 1.505 . . . . 0.0 110.028 178.236 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 CA--C 1.509 -0.624 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 m -155.47 112.06 3.19 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.09 -171.79 38.08 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-O 118.095 -1.392 . . . . 0.0 110.632 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -113.59 145.1 41.8 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -146.16 170.78 16.02 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.392 -1.29 . . . . 0.0 110.023 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.29 147.42 24.71 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.844 1.202 . . . . 0.0 110.05 170.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ttp -50.92 133.7 26.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 116.605 -1.664 . . . . 0.0 109.736 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -99.73 -57.72 2.08 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 120.661 1.573 . . . . 0.0 110.346 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 m -132.94 -56.94 0.93 Allowed 'General case' 0 C--N 1.358 0.969 0 CA-C-O 117.154 -1.403 . . . . 0.0 114.178 -170.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 87.13 153.14 0.06 Allowed 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.669 1.122 . . . . 0.0 111.151 -174.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -159.48 138.6 11.1 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.096 -1.43 . . . . 0.0 108.444 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 60.99 16.53 7.08 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.934 1.243 . . . . 0.0 113.281 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -63.4 -49.15 74.94 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.098 0.863 . . . . 0.0 113.123 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -59.33 -63.23 1.38 Allowed 'General case' 0 C--N 1.348 0.532 0 CA-C-N 120.248 1.385 . . . . 0.0 113.083 -168.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.41 -43.16 97.0 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.207 -174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -43.51 -39.74 3.54 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 119.733 1.152 . . . . 0.0 112.716 176.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.3 mmm -78.94 -35.76 42.79 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 118.374 -0.822 . . . . 0.0 108.992 -174.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -62.03 -35.02 77.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.776 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.13 -51.4 13.54 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.938 1.244 . . . . 0.0 108.884 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.9 tp -46.36 -40.57 12.16 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.605 -173.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.85 68.47 0.46 Allowed Glycine 0 C--N 1.354 1.556 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 175.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.1 mm -130.6 157.31 42.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.877 -1.059 . . . . 0.0 108.66 -174.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -86.64 134.39 33.62 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.835 -1.079 . . . . 0.0 111.719 -175.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.3 t -46.27 -41.38 13.01 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.311 0.959 . . . . 0.0 112.756 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -53.83 -50.58 65.86 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.609 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -81.18 -23.13 10.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-O 117.393 -1.289 . . . . 0.0 111.014 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.2 mt -55.82 -47.2 79.88 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 120.91 1.686 . . . . 0.0 107.199 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -58.67 -32.76 69.4 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 118.168 -0.92 . . . . 0.0 111.214 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -61.16 -67.33 0.42 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.949 1.25 . . . . 0.0 108.69 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.79 -3.18 14.41 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.592 -1.194 . . . . 0.0 112.732 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -64.6 -49.88 69.37 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.67 1.577 . . . . 0.0 108.096 169.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -136.8 45.15 2.3 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.96 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -114.72 135.79 53.77 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 171.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -73.39 146.77 44.88 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -132.83 125.46 52.44 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -85.4 150.01 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m -136.92 124.46 22.21 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -122.02 149.75 43.06 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -139.4 143.78 30.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-O 117.42 -1.276 . . . . 0.0 108.241 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -139.23 86.98 2.16 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 171.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -61.8 151.43 34.27 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.432 -0.794 . . . . 0.0 108.929 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -147.36 68.21 1.14 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -172.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.27 -156.45 52.21 Favored Glycine 0 C--N 1.352 1.423 0 C-N-CA 119.328 -1.415 . . . . 0.0 109.654 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -45.57 -38.21 6.24 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.127 174.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.89 147.87 36.78 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.503 1.047 . . . . 0.0 110.674 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.68 164.67 18.64 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -136.47 73.19 1.44 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -78.45 164.23 24.94 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.553 -171.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.8 m -151.93 154.46 36.13 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.706 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -135.11 89.4 2.52 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.354 0.798 0 CA-C-O 117.674 -1.155 . . . . 0.0 109.631 -171.519 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 . . . . . 0 CA--C 1.507 -0.7 0 N-CA-C 105.261 -2.125 . . . . 0.0 105.261 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 m -78.28 101.23 7.05 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 173.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 43.2 ttp -81.99 154.46 25.69 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 171.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.96 154.3 47.15 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.213 1.369 . . . . 0.0 111.218 175.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -128.69 75.08 1.61 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.5 145.22 45.79 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -162.71 166.31 24.54 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.411 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -125.32 134.24 52.31 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -88.26 153.13 3.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -169.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.31 22.05 57.92 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-O 117.295 -1.836 . . . . 0.0 110.702 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -140.07 -63.74 0.49 Allowed 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.76 1.78 . . . . 0.0 109.857 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.283 8.9 pt-20 113.18 154.04 0.0 OUTLIER 'General case' 0 C--N 1.356 0.883 0 C-N-CA 124.919 1.288 . . . . 0.0 108.054 177.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.1 m -156.9 168.08 28.54 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.403 -1.284 . . . . 0.0 108.359 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -79.66 87.67 5.19 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.1 mt -83.64 142.99 12.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.404 -172.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -99.93 56.46 0.96 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 118.622 0.646 . . . . 0.0 110.831 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.352 0.684 0 O-C-N 121.915 -0.491 . . . . 0.0 111.384 175.596 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 CA--C 1.507 -0.68 0 CA-C-O 117.382 -1.294 . . . . 0.0 107.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -128.97 142.85 50.79 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . . . -163.66 144.59 8.95 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.97 -1.49 . . . . 0.0 109.924 -169.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -95.59 107.97 20.2 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.398 0.999 . . . . 0.0 109.767 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.2 t -77.99 147.11 7.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -137.1 -177.87 4.95 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -155.62 149.57 25.45 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 117.488 -1.244 . . . . 0.0 108.763 -169.155 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.403 ' N ' ' SD ' ' A' ' 85' ' ' MET . 1.2 pp20? -151.54 164.65 36.37 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 119.482 1.037 . . . . 0.0 110.702 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.08 90.46 0.06 OUTLIER Glycine 0 C--N 1.354 1.549 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -176.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.06 -40.01 1.33 Allowed Glycine 0 C--N 1.355 1.589 0 CA-C-O 118.021 -1.433 . . . . 0.0 111.418 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -159.79 170.41 21.53 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.417 1.608 . . . . 0.0 112.058 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.9 tp -102.74 152.85 20.75 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 117.313 -1.327 . . . . 0.0 107.757 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.4 t -132.42 145.99 33.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-O 116.755 -1.593 . . . . 0.0 109.794 -176.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.8 p -155.35 157.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 120.97 1.714 . . . . 0.0 110.507 171.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -147.85 144.16 27.94 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.273 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.454 ' CE1' ' CE1' ' A' ' 97' ' ' TYR 0.253 24.8 m-85 -124.64 165.82 23.12 Favored Pre-proline 0 C--N 1.354 0.774 0 CA-C-O 116.097 -1.906 . . . . 0.0 106.393 -174.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -77.46 58.34 6.28 Favored 'Trans proline' 0 C--N 1.357 0.975 0 CA-C-N 123.588 2.317 . . . . 0.0 109.835 169.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -173.58 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.357 0.906 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.454 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 1.4 p90 -113.43 -178.65 3.43 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.31 157.39 45.98 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.98 153.58 28.27 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.524 1.056 . . . . 0.0 110.376 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.25 103.67 4.47 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 m -78.05 163.02 26.27 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 107.454 -1.314 . . . . 0.0 107.454 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -160.44 117.21 2.42 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.731 1.15 . . . . 0.0 110.058 -171.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mm -89.36 150.52 3.69 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-N 119.346 0.976 . . . . 0.0 108.641 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -139.04 75.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.78 -82.93 0.82 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -138.39 63.02 1.54 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -172.34 137.57 0.88 Allowed 'General case' 0 C--N 1.351 0.64 0 CA-C-O 116.632 -1.651 . . . . 0.0 106.922 -173.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.1 tp -112.03 134.68 53.43 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.31 160.52 40.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -140.13 167.33 22.39 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.369 -1.301 . . . . 0.0 109.575 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.8 t -139.15 96.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.8 m -78.09 170.1 17.17 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.155 0.889 . . . . 0.0 109.441 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.6 m -161.58 147.65 13.96 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 116.996 -1.478 . . . . 0.0 110.952 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.8 tt -158.37 74.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-N 119.821 1.191 . . . . 0.0 110.616 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 61.81 22.24 61.89 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 117.346 -1.808 . . . . 0.0 113.469 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.43 -48.89 0.58 Allowed Glycine 0 C--N 1.356 1.67 0 CA-C-N 120.207 2.003 . . . . 0.0 111.63 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.9 t -89.38 153.61 3.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -128.47 164.85 21.86 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -139.43 91.33 2.48 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 167.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -89.45 164.41 14.85 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.922 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -161.64 165.96 27.51 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 117.105 -1.426 . . . . 0.0 109.944 -173.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.42 82.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.654 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -170.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.0 m -79.45 97.98 6.61 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -62.1 170.44 2.21 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.084 -1.436 . . . . 0.0 109.988 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -106.21 84.06 1.98 Allowed 'General case' 0 C--N 1.359 1.016 0 CA-C-N 119.913 1.233 . . . . 0.0 108.932 -172.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.1 -157.44 0.13 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -175.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.727 0 CA-C-N 120.548 1.522 . . . . 0.0 110.876 175.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 . . . . . 0 CA--C 1.509 -0.611 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.7 m -159.75 122.49 3.48 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.464 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.28 175.56 24.01 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 118.384 -1.231 . . . . 0.0 110.63 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -92.01 145.98 24.1 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.206 -1.775 . . . . 0.0 106.206 170.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -142.59 165.84 26.3 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 116.766 -1.587 . . . . 0.0 108.873 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -146.24 127.02 14.37 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 116.795 -1.574 . . . . 0.0 110.598 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttp -48.1 109.84 0.27 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-O 117.513 -1.232 . . . . 0.0 108.922 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.14 -53.47 5.76 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.144 1.338 . . . . 0.0 108.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 p -154.26 172.66 17.28 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.129 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.33 170.77 16.11 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 118.795 0.725 . . . . 0.0 111.497 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -143.01 155.27 44.62 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 165.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 52.65 21.03 1.71 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.416 1.007 . . . . 0.0 113.555 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -76.3 -49.77 16.08 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.354 0.979 . . . . 0.0 110.767 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.25 -56.89 12.9 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.359 -173.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.9 -52.41 65.15 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.102 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -43.12 -43.05 4.31 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 120.058 1.299 . . . . 0.0 111.861 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 36.5 mmm -76.86 -34.79 57.79 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.469 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -35.84 81.65 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.815 -1.088 . . . . 0.0 108.491 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.65 -51.8 31.54 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 120.398 1.454 . . . . 0.0 107.918 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.6 tp -48.28 -42.63 31.27 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.38 58.96 0.22 Allowed Glycine 0 C--N 1.356 1.647 0 CA-C-O 117.809 -1.551 . . . . 0.0 110.865 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.0 mm -126.53 155.16 36.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.952 0 CA-C-N 118.762 1.281 . . . . 0.0 108.055 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -72.77 159.92 33.02 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 p -86.04 65.46 9.11 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -167.03 -56.38 0.03 OUTLIER 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.87 -45.96 87.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 169.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.5 mt -52.39 -57.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -56.03 -36.6 68.17 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.132 -171.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -75.6 -64.35 1.09 Allowed 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.04 -38.37 0.32 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 118.011 -0.995 . . . . 0.0 113.572 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -77.38 -44.23 30.02 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.195 0.907 . . . . 0.0 111.191 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -74.73 -54.49 7.28 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 35' ' ' LYS . 2.2 t80 -50.05 116.13 1.7 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 173.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 45.4 mmtm -61.49 155.93 20.68 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 175.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 mt -133.5 153.81 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.76 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.4 t -104.82 155.6 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -174.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.1 m -146.02 121.71 10.5 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 116.805 -1.569 . . . . 0.0 107.911 176.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -115.43 153.44 31.08 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.21 147.41 19.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 117.974 -1.013 . . . . 0.0 108.662 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -146.72 94.39 2.43 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 167.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -65.46 161.67 19.49 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 119.373 -0.931 . . . . 0.0 108.838 -174.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -148.73 65.73 1.05 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -172.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.85 -152.25 52.6 Favored Glycine 0 C--N 1.352 1.426 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -50.36 -37.06 35.14 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.747 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.59 156.11 33.02 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.724 1.147 . . . . 0.0 111.083 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 8.7 m-85 -133.14 166.01 23.44 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.883 0.765 . . . . 0.0 109.554 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.3 p -133.57 68.93 1.48 Allowed 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.052 -1.832 . . . . 0.0 106.052 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -76.48 159.88 30.0 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 116.935 -1.507 . . . . 0.0 107.825 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 m -154.86 155.15 33.86 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.114 168.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -127.33 144.42 51.05 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 115.728 -2.082 . . . . 0.0 106.707 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.357 0.897 0 CA-C-N 121.462 1.937 . . . . 0.0 108.823 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.2 t60 . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.6 m -150.76 106.19 3.37 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 166.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 27.9 ttp -81.23 155.51 26.08 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 175.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.0 m -141.64 145.82 35.43 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 121.199 1.818 . . . . 0.0 112.451 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -132.86 72.75 1.5 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -66.67 148.19 52.25 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 169.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.419 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 9.6 p90 -162.22 168.55 22.24 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 119.271 0.942 . . . . 0.0 110.921 178.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -129.89 128.83 43.0 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.44 142.02 13.54 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -168.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.49 17.78 74.86 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-O 116.728 -2.151 . . . . 0.0 110.129 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -137.47 -70.97 0.44 Allowed 'General case' 0 C--N 1.361 1.08 0 CA-C-N 120.296 2.048 . . . . 0.0 109.367 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.254 15.5 pt-20 129.38 156.73 0.0 OUTLIER 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.487 1.115 . . . . 0.0 109.279 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 m -160.48 158.54 29.51 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.558 -1.21 . . . . 0.0 109.397 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -69.61 82.31 0.42 Allowed 'General case' 0 C--N 1.357 0.928 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.16 134.84 26.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 CA-C-O 117.295 -1.336 . . . . 0.0 109.492 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.0 151.34 21.09 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.351 0.657 0 CA-C-N 118.728 0.695 . . . . 0.0 111.956 -166.141 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 CA--C 1.506 -0.724 0 CA-C-O 117.737 -1.125 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -102.76 76.81 1.53 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 173.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.23 160.63 24.23 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.401 -1.285 . . . . 0.0 109.349 -175.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 m -107.94 105.93 15.95 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.603 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.2 t -79.66 148.5 5.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -142.75 -174.51 4.18 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 36.4 ttm -134.59 154.11 51.64 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 117.052 -1.451 . . . . 0.0 108.428 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -139.9 65.77 1.41 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.324 1.42 . . . . 0.0 109.887 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.55 -119.46 5.61 Favored Glycine 0 C--N 1.357 1.707 0 CA-C-O 117.405 -1.775 . . . . 0.0 108.761 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.76 47.35 1.32 Allowed Glycine 0 C--N 1.356 1.679 0 N-CA-C 108.229 -1.949 . . . . 0.0 108.229 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -157.58 153.05 26.26 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.17 -1.395 . . . . 0.0 108.362 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 tp -114.04 156.3 24.37 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.686 -1.15 . . . . 0.0 110.88 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.2 t -133.18 144.46 36.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-O 116.529 -1.7 . . . . 0.0 110.233 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.45 159.12 3.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-N 120.877 1.671 . . . . 0.0 110.248 171.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -148.09 119.88 8.11 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.06 -0.971 . . . . 0.0 108.902 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.403 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 65.1 m-85 -98.29 162.57 21.52 Favored Pre-proline 0 C--N 1.356 0.865 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -78.69 59.42 7.24 Favored 'Trans proline' 0 C--N 1.357 0.976 0 CA-C-N 123.976 2.456 . . . . 0.0 109.848 173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -172.88 -71.62 0.01 OUTLIER 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.403 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 19.2 p90 -110.43 174.7 5.74 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 175.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -133.02 155.6 48.88 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -153.63 155.82 36.79 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.62 1.1 . . . . 0.0 109.113 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.77 105.32 5.1 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.86 164.47 26.6 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 -177.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -163.64 115.8 1.44 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.996 1.271 . . . . 0.0 111.373 -173.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.18 149.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 119.542 1.065 . . . . 0.0 108.47 174.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.49 74.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.54 -84.9 0.75 Allowed Glycine 0 C--N 1.354 1.534 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -139.41 57.54 1.64 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -170.94 126.46 0.7 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -171.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.9 tp -101.82 137.97 39.41 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 -176.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.3 168.1 19.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -145.45 173.07 12.33 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.761 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -150.4 103.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 171.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -84.49 171.96 12.09 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 -176.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 m -161.67 143.0 11.19 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 120.664 1.575 . . . . 0.0 111.173 -172.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 116' ' ' GLY . 12.4 tt -165.27 139.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 116.139 -1.886 . . . . 0.0 109.323 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 45.65 -91.29 0.01 OUTLIER Glycine 0 C--N 1.355 1.621 0 CA-C-N 120.715 1.598 . . . . 0.0 111.254 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 114' ' ' ILE . . . -147.38 43.93 0.82 Allowed Glycine 0 C--N 1.354 1.545 0 CA-C-O 118.799 -1.001 . . . . 0.0 110.824 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.4 t -141.29 151.59 19.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.9 m -130.61 168.38 17.2 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.787 -1.102 . . . . 0.0 108.239 -173.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -153.09 110.38 3.51 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.777 -1.583 . . . . 0.0 109.332 173.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -95.62 160.89 14.28 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 120.316 1.416 . . . . 0.0 110.268 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -145.9 166.66 25.34 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 117.045 -1.455 . . . . 0.0 107.761 174.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 39.8 t -136.42 78.24 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.2 m -73.87 95.59 2.47 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -59.27 169.09 1.24 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.284 -1.341 . . . . 0.0 109.279 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -108.66 87.16 2.43 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -172.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.16 -156.6 0.39 Allowed 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.184 -1.388 . . . . 0.0 107.845 -171.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.687 0 CA-C-N 120.485 1.493 . . . . 0.0 110.267 -175.539 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 . . . . . 0 CA--C 1.509 -0.631 0 CA-C-O 119.72 -0.181 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.0 m -158.26 115.8 2.93 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.278 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.81 174.93 26.23 Favored Glycine 0 C--N 1.354 1.538 0 CA-C-O 117.471 -1.738 . . . . 0.0 110.685 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -98.57 144.09 28.26 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.038 1.419 . . . . 0.0 107.65 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -137.9 171.05 15.0 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.881 -1.533 . . . . 0.0 108.65 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.33 152.37 36.96 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 120.879 1.672 . . . . 0.0 110.612 168.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -81.66 160.24 23.77 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.892 -173.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -167.21 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.519 -1.705 . . . . 0.0 112.983 -177.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.2 p -116.8 154.73 30.18 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 121.588 1.994 . . . . 0.0 108.024 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -169.48 154.32 5.6 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.703 -1.618 . . . . 0.0 110.261 -166.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.52 167.05 13.91 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 121.088 1.767 . . . . 0.0 112.742 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 62.46 42.94 8.34 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 118.791 0.723 . . . . 0.0 109.82 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.61 ' CD1' ' CE1' ' A' ' 119' ' ' TYR . 27.9 t80 -113.45 -61.48 1.73 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -160.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.41 -49.43 34.96 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 119.376 0.989 . . . . 0.0 109.271 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.87 -54.82 40.41 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.067 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -47.31 -35.92 8.61 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 121.567 1.985 . . . . 0.0 112.744 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.4 mmt -87.25 -24.54 24.34 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.105 -175.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -66.85 -38.56 86.62 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.86 -51.57 46.71 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -58.05 -47.44 83.14 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -171.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.26 68.26 0.51 Allowed Glycine 0 C--N 1.355 1.601 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.101 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 mm -126.42 157.5 36.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 CA-C-N 118.316 1.058 . . . . 0.0 109.155 -176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.4 t -71.8 153.94 41.62 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.816 0.735 . . . . 0.0 112.772 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 m -63.03 -30.27 71.47 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.066 -0.968 . . . . 0.0 113.574 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -80.77 -44.08 19.14 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 -175.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.48 -40.05 77.21 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.79 -65.9 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.85 -21.51 57.03 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-O 117.854 -1.07 . . . . 0.0 112.394 -173.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -66.54 -64.06 0.94 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-N 120.847 1.658 . . . . 0.0 106.968 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.25 . . -65.23 -7.97 15.4 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.648 -1.644 . . . . 0.0 112.183 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -59.11 -52.75 64.37 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.934 2.152 . . . . 0.0 106.954 167.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -135.19 49.54 2.19 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 123.404 0.44 . . . . 0.0 111.768 -172.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -119.14 123.41 44.31 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 173.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.51 78.29 0.79 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.29 144.67 14.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.9 t -100.28 154.81 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.96 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.9 m -141.23 154.03 45.57 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 107.472 -1.306 . . . . 0.0 107.472 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -152.38 157.58 41.47 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.04 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -142.81 153.21 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.746 0 O-C-N 124.049 0.843 . . . . 0.0 110.587 -172.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -143.94 106.94 4.49 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -74.9 86.52 2.27 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -80.05 68.87 6.31 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.01 -162.63 45.92 Favored Glycine 0 C--N 1.353 1.509 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.492 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -43.75 -35.31 1.81 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.806 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.64 121.84 26.34 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 117.519 -1.229 . . . . 0.0 109.002 175.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -94.17 161.98 14.05 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.56 80.9 1.92 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 103.52 -2.77 . . . . 0.0 103.52 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -78.86 162.64 25.92 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.398 -1.287 . . . . 0.0 107.905 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -155.58 157.62 37.08 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 119.913 1.233 . . . . 0.0 111.255 167.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -135.04 111.25 9.63 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 116.691 -1.623 . . . . 0.0 106.702 -176.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 . . . . . 0 C--N 1.358 0.97 0 CA-C-N 120.725 1.602 . . . . 0.0 111.076 -171.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.9 t60 . . . . . 0 CA--C 1.511 -0.529 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.9 m -88.15 96.63 10.61 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 103.869 -2.641 . . . . 0.0 103.869 169.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.3 ttp -70.22 153.45 43.08 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -136.78 154.27 50.6 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.73 1.605 . . . . 0.0 111.917 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -135.46 73.01 1.45 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -76.44 156.5 33.04 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.706 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -168.48 171.65 8.84 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.667 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -129.68 129.28 44.05 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.07 146.18 6.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -167.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.81 7.9 59.72 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-O 115.897 -2.613 . . . . 0.0 111.838 -174.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -137.81 2.51 2.4 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 121.396 2.598 . . . . 0.0 116.871 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 61.93 138.23 0.01 OUTLIER 'General case' 0 C--N 1.35 0.622 0 CA-C-N 120.846 1.657 . . . . 0.0 114.522 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 m -164.36 163.66 22.37 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.265 -1.35 . . . . 0.0 108.247 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -73.63 140.84 46.42 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.162 1.346 . . . . 0.0 108.4 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.8 mt -137.77 146.5 27.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 CA-C-O 117.105 -1.426 . . . . 0.0 108.016 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -111.1 59.09 0.61 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.447 1.021 . . . . 0.0 109.981 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.353 0.738 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.521 172.837 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 . . . . . 0 CA--C 1.508 -0.637 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -136.15 147.42 47.72 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.138 -0.934 . . . . 0.0 108.751 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.88 162.89 29.44 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.113 -1.423 . . . . 0.0 109.633 -173.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.2 m -105.57 99.84 9.43 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.358 0.981 . . . . 0.0 108.811 -177.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.52 146.0 10.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -140.46 -179.36 5.97 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -135.27 171.85 13.85 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -156.02 65.22 0.58 Allowed 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.719 -0.793 . . . . 0.0 111.003 170.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.08 -105.44 3.13 Favored Glycine 0 C--N 1.356 1.667 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.3 43.23 1.73 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 107.735 -2.146 . . . . 0.0 107.735 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.25 151.64 32.12 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.2 tp -122.28 152.46 40.05 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.985 -165.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.0 t -139.36 147.57 24.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 CA-C-O 116.804 -1.57 . . . . 0.0 110.484 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.28 159.17 2.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 120.736 1.607 . . . . 0.0 110.422 170.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -148.27 138.91 22.9 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.745 -1.121 . . . . 0.0 108.853 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . 0.251 13.4 m-85 -119.04 165.27 17.45 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-O 116.261 -1.828 . . . . 0.0 106.561 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.49 64.57 7.33 Favored 'Trans proline' 0 C--N 1.357 0.978 0 CA-C-N 123.15 2.161 . . . . 0.0 108.192 166.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -178.88 -81.89 0.0 OUTLIER 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.78 -1.105 . . . . 0.0 108.106 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.07 -173.9 2.35 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.196 0.907 . . . . 0.0 109.318 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -138.01 159.46 41.95 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.09 150.07 26.8 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.761 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.95 108.9 4.4 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -91.89 161.42 14.84 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 120.351 1.432 . . . . 0.0 108.519 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.46 120.95 8.51 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.83 -1.081 . . . . 0.0 109.325 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -85.94 148.31 4.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.28 75.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.49 -81.29 0.61 Allowed Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -138.59 61.18 1.59 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -170.28 137.84 1.53 Allowed 'General case' 0 C--N 1.351 0.665 0 CA-C-O 116.902 -1.523 . . . . 0.0 107.358 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.5 tp -112.66 137.13 51.39 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.48 173.52 14.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 CA-C-N 120.22 1.373 . . . . 0.0 108.4 173.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -149.05 154.97 40.06 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 116.923 -1.513 . . . . 0.0 110.846 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 68.9 t -139.47 109.22 3.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.0 p -82.13 174.84 10.83 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.955 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.6 m -161.94 155.65 21.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.354 -1.307 . . . . 0.0 110.32 169.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -153.63 -52.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.945 0 CA-C-N 119.931 1.241 . . . . 0.0 113.55 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.3 70.87 0.2 Allowed Glycine 0 C--N 1.353 1.527 0 CA-C-N 120.642 1.565 . . . . 0.0 109.704 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.57 25.18 73.05 Favored Glycine 0 C--N 1.353 1.514 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.957 -174.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.7 t -147.27 149.21 15.81 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.3 m -137.36 164.72 27.92 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.25 -1.357 . . . . 0.0 107.625 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.61 ' CE1' ' CD1' ' A' ' 14' ' ' TYR . 25.9 t80 -142.32 118.31 10.62 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 115.992 -1.956 . . . . 0.0 106.738 169.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -121.96 160.89 23.91 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.761 1.619 . . . . 0.0 110.167 -175.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -163.87 154.57 15.66 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 116.886 -1.53 . . . . 0.0 108.942 -167.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.0 t -131.5 90.18 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -166.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.4 m -84.33 104.01 14.0 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.926 -1.035 . . . . 0.0 108.376 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -67.73 167.35 13.46 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.454 1.479 . . . . 0.0 111.14 -176.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.9 91.62 3.9 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -173.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.75 -157.6 0.14 Allowed 'General case' 0 C--N 1.351 0.644 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -173.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.702 0 CA-C-N 120.781 1.628 . . . . 0.0 111.067 -179.76 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 55.48 59.91 3.64 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.0 m -158.79 113.36 2.48 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-O 117.607 -1.187 . . . . 0.0 108.433 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.74 177.36 27.99 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 118.011 -1.438 . . . . 0.0 111.34 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -88.88 147.62 24.28 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 118.567 1.183 . . . . 0.0 107.956 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -145.24 173.05 12.29 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 116.872 -1.537 . . . . 0.0 109.131 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -156.87 141.47 16.79 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.757 1.617 . . . . 0.0 110.87 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttp -68.93 105.46 2.39 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.083 -1.437 . . . . 0.0 108.567 -173.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -81.89 -37.79 26.33 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 120.955 1.707 . . . . 0.0 110.47 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 m -155.2 173.47 16.57 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.43 1.014 . . . . 0.0 111.358 -171.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -142.02 172.8 12.19 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 118.129 -0.938 . . . . 0.0 111.1 -175.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -118.48 -74.73 0.6 Allowed 'General case' 0 C--N 1.359 0.996 0 CA-C-O 117.197 -1.382 . . . . 0.0 109.923 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -108.98 20.58 18.26 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 120.479 1.491 . . . . 0.0 112.203 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -44.75 -44.68 9.46 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -57.06 -54.33 47.98 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 119.761 -0.776 . . . . 0.0 111.226 -173.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -69.33 -51.24 38.94 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.056 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -44.16 -39.57 4.42 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 119.209 0.913 . . . . 0.0 111.677 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -49.12 65.58 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.295 0.0 OUTLIER -56.16 -25.68 47.48 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.732 -1.127 . . . . 0.0 110.946 -175.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -76.49 -50.52 13.8 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 119.99 1.268 . . . . 0.0 109.207 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.84 -46.96 74.7 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.412 1.46 . . . . 0.0 108.922 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.69 64.13 0.76 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.2 mm -103.36 157.09 5.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 t -71.1 141.18 50.82 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.831 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -54.18 -30.33 49.12 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -77.52 -45.12 26.44 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.32 -36.48 74.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 CA-C-O 117.869 -1.063 . . . . 0.0 108.632 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.4 mt -56.95 -58.01 7.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -58.22 -25.84 62.13 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.513 -1.232 . . . . 0.0 112.404 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -66.31 -68.13 0.39 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 121.066 1.757 . . . . 0.0 109.809 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.69 -38.89 22.6 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.293 0.951 . . . . 0.0 111.255 -170.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -30.63 60.49 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.701 -176.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -101.96 33.42 3.05 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.437 1.017 . . . . 0.0 110.325 171.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -151.46 145.05 24.94 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.694 1.134 . . . . 0.0 111.026 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -89.63 87.26 6.95 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.01 127.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 104.829 -2.286 . . . . 0.0 104.829 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.8 t -86.89 151.81 3.54 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.9 m -140.74 117.83 11.23 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 117.225 -1.369 . . . . 0.0 108.231 -173.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -108.17 157.97 17.84 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.6 t -143.74 149.54 17.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 CA-C-O 117.562 -1.209 . . . . 0.0 109.49 174.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -143.88 88.66 1.99 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.22 89.2 0.19 Allowed 'General case' 0 C--N 1.351 0.65 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -91.86 70.32 5.58 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.4 -159.5 46.7 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.03 -1.081 . . . . 0.0 111.07 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -50.03 -33.55 18.54 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.138 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.72 146.15 30.14 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 120.005 1.275 . . . . 0.0 108.653 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.86 160.2 23.92 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.2 76.85 1.64 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 103.841 -2.651 . . . . 0.0 103.841 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -77.94 155.96 30.54 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 116.729 -1.605 . . . . 0.0 106.759 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -149.89 158.97 44.69 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 119.824 1.193 . . . . 0.0 110.462 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -136.23 81.19 1.87 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -78.7 146.68 33.83 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 117.532 -1.223 . . . . 0.0 109.535 -171.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.523 ' CZ ' ' CD2' ' A' ' 57' ' ' HIS . 4.5 m-30 -97.39 66.49 2.03 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 175.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t 50.19 49.38 20.6 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 123.208 0.317 . . . . 0.0 111.791 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.29 -31.17 5.86 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-O 117.404 -1.776 . . . . 0.0 114.218 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.16 -116.05 0.16 Allowed Glycine 0 C--N 1.354 1.564 0 CA-C-N 120.571 2.185 . . . . 0.0 109.397 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.523 ' CD2' ' CZ ' ' A' ' 53' ' ' TYR . 6.9 t60 -52.21 150.84 4.25 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.65 1.725 . . . . 0.0 109.136 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.426 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 87.2 m -134.57 109.08 8.44 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.572 -1.204 . . . . 0.0 107.828 171.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.1 ttp -85.85 153.82 21.98 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 172.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -135.54 153.03 51.84 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.842 1.656 . . . . 0.0 111.581 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -131.48 71.54 1.48 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -73.33 142.67 47.08 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -160.41 168.91 24.16 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.035 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -124.65 137.24 54.38 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.38 152.75 3.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -170.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.34 24.09 63.14 Favored Glycine 0 C--N 1.351 1.381 0 CA-C-O 117.682 -1.621 . . . . 0.0 109.462 -172.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -145.01 -61.02 0.36 Allowed 'General case' 0 C--N 1.359 0.982 0 CA-C-N 119.158 1.479 . . . . 0.0 110.272 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.282 6.6 pt-20 112.8 154.61 0.0 OUTLIER 'General case' 0 C--N 1.357 0.908 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.4 m -162.95 167.33 22.74 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 117.228 -1.368 . . . . 0.0 108.843 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -74.64 140.91 44.6 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 171.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.9 mt -136.31 140.44 43.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 120.113 1.324 . . . . 0.0 108.133 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -74.84 -39.63 61.49 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.337 0.971 . . . . 0.0 111.509 -168.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.7 p 68.9 162.63 0.22 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 171.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.6 mmt -100.4 26.58 6.49 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 123.911 0.757 . . . . 0.0 109.898 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.27 -152.65 29.54 Favored Glycine 0 C--N 1.355 1.589 0 N-CA-C 107.477 -2.249 . . . . 0.0 107.477 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.39 -35.54 47.37 Favored Glycine 0 C--N 1.35 1.338 0 CA-C-O 118.23 -1.317 . . . . 0.0 111.071 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -145.39 172.55 13.02 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 118.639 1.22 . . . . 0.0 112.556 -170.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.9 m -66.68 143.19 57.12 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.351 -1.309 . . . . 0.0 109.918 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -128.28 178.05 6.52 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -115.74 141.58 47.9 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 171.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -154.8 150.94 28.06 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.048 -1.453 . . . . 0.0 110.48 -169.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.9 m -92.97 102.55 14.9 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.278 0.945 . . . . 0.0 109.0 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.81 145.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -140.96 175.37 9.67 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 174.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.7 mtp -129.15 172.76 11.11 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -133.65 -64.33 0.72 Allowed 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.065 0.853 . . . . 0.0 109.206 170.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.37 -74.6 0.02 OUTLIER Glycine 0 C--N 1.351 1.416 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.54 38.6 3.21 Favored Glycine 0 C--N 1.356 1.662 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -163.92 177.63 8.4 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.412 1.106 . . . . 0.0 110.11 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.1 tp -138.19 160.19 40.07 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 117.632 -1.175 . . . . 0.0 109.172 -172.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.6 t -141.7 145.3 24.56 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-O 116.617 -1.659 . . . . 0.0 110.472 -171.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.1 p -155.67 156.8 4.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 120.502 1.501 . . . . 0.0 110.219 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -149.32 118.45 6.77 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.486 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 10.0 m-85 -108.11 158.56 33.33 Favored Pre-proline 0 C--N 1.356 0.88 0 CA-C-O 115.755 -2.069 . . . . 0.0 106.256 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.04 67.49 5.95 Favored 'Trans proline' 0 C--N 1.358 1.04 0 CA-C-N 123.814 2.398 . . . . 0.0 108.349 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -174.88 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.7 -0.667 . . . . 0.0 109.808 -171.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.486 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 19.8 p90 -151.72 -176.53 5.66 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -133.86 154.13 51.26 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 120.152 1.342 . . . . 0.0 107.867 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -156.99 152.18 26.29 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.243 0.929 . . . . 0.0 109.676 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.23 121.86 12.54 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.8 m -95.75 163.01 13.36 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-N 121.173 1.806 . . . . 0.0 108.982 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -157.54 98.45 1.67 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-N 119.136 0.88 . . . . 0.0 109.536 -171.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mm -72.56 149.27 8.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.582 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.5 t -133.91 80.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.08 -83.44 0.17 Allowed Glycine 0 C--N 1.354 1.536 0 CA-C-O 118.794 -1.003 . . . . 0.0 110.725 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -134.05 60.79 1.69 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -169.09 138.12 2.08 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 -178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.39 129.3 55.79 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.14 158.84 30.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -143.79 161.67 38.02 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.317 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.0 p -147.36 104.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -92.72 171.98 8.64 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 117.239 -1.362 . . . . 0.0 108.144 -172.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.6 m -165.14 150.23 9.3 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-N 120.84 1.654 . . . . 0.0 111.324 -171.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 17.1 tt -160.49 -50.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 120.293 1.406 . . . . 0.0 113.695 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -162.05 74.96 0.19 Allowed Glycine 0 C--N 1.356 1.657 0 CA-C-N 121.261 1.846 . . . . 0.0 110.906 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.64 20.93 79.86 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-O 117.885 -1.509 . . . . 0.0 111.382 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 71.7 t -144.78 152.42 15.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.1 m -152.07 131.08 12.59 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.584 -1.674 . . . . 0.0 108.235 -176.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.09 96.74 6.21 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 119.84 1.2 . . . . 0.0 110.111 -173.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.68 153.39 35.18 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.722 -1.133 . . . . 0.0 111.15 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -144.49 175.9 9.78 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 116.98 -1.486 . . . . 0.0 107.982 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.27 78.98 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.723 0 CA-C-N 119.919 1.236 . . . . 0.0 107.922 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.9 m -72.98 98.18 2.45 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -67.72 169.83 8.89 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.289 -1.815 . . . . 0.0 110.145 -175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -105.92 90.45 3.39 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -173.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.64 -153.95 0.19 Allowed 'General case' 0 C--N 1.35 0.625 0 CA-C-O 117.072 -1.442 . . . . 0.0 107.529 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.629 0 CA-C-N 120.791 1.632 . . . . 0.0 110.256 -175.469 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 51.94 64.38 1.87 Allowed 'General case' 0 C--N 1.353 0.732 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.6 m -156.12 113.53 3.24 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.96 -155.95 27.55 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 119.881 -1.152 . . . . 0.0 111.092 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.41 155.5 42.07 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 174.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -154.92 166.24 34.16 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 116.358 -1.782 . . . . 0.0 110.972 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -145.0 150.58 37.16 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.395 1.907 . . . . 0.0 110.733 167.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.2 ttm -101.65 146.27 27.94 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 116.905 -1.521 . . . . 0.0 109.439 -168.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -160.29 -48.81 0.05 OUTLIER 'General case' 0 C--N 1.357 0.901 0 CA-C-O 117.04 -1.457 . . . . 0.0 114.054 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -69.68 -60.02 2.58 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 122.181 2.264 . . . . 0.0 109.888 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 59.66 173.8 0.08 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.545 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -143.83 -89.03 0.12 Allowed 'General case' 0 C--N 1.358 0.958 0 CA-C-O 117.192 -1.385 . . . . 0.0 110.328 -177.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -83.84 -17.38 41.14 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.398 1.908 . . . . 0.0 111.544 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.1 t80 2.45 -63.25 0.0 OUTLIER 'General case' 0 C--N 1.354 0.792 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 171.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -53.14 -55.32 24.97 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 119.96 1.255 . . . . 0.0 110.961 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.22 -51.23 64.71 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.032 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -44.91 -38.51 4.7 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 118.607 -1.237 . . . . 0.0 113.266 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.4 mmt -75.11 -37.56 61.45 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 117.896 -1.05 . . . . 0.0 108.401 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -53.37 -36.59 61.57 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.726 1.148 . . . . 0.0 110.276 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -79.39 -39.96 31.27 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.209 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.78 -40.24 66.09 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 171.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.65 57.41 0.74 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mm -105.54 154.88 6.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.8 p -80.9 150.26 29.11 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 120.123 1.328 . . . . 0.0 111.74 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.9 p -62.61 -37.95 88.27 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 118.901 0.773 . . . . 0.0 111.656 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.52 -32.38 73.3 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.713 -1.137 . . . . 0.0 111.164 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 m -90.61 -31.05 4.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.157 -1.401 . . . . 0.0 110.742 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.3 mt -54.38 -62.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-N 121.132 1.787 . . . . 0.0 106.824 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -46.97 -40.33 14.18 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.15 0.886 . . . . 0.0 111.368 -175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -68.8 -52.12 33.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.201 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.58 -34.14 4.7 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-O 116.927 -1.511 . . . . 0.0 112.377 -175.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -33.47 13.47 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.274 1.397 . . . . 0.0 111.418 177.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -59.26 -53.61 56.35 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.9 1.682 . . . . 0.0 107.823 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -82.51 156.29 24.1 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -91.94 99.77 12.55 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -172.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -58.86 133.42 24.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -91.02 151.61 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.6 m -134.66 134.73 41.47 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' C ' ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -133.34 160.76 36.4 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 174.34 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 t -144.32 144.97 22.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 CA-C-O 117.825 -1.083 . . . . 0.0 110.138 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -139.46 85.96 2.09 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -62.5 149.82 41.87 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -146.55 69.04 1.18 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -172.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.78 -159.6 53.24 Favored Glycine 0 C--N 1.352 1.438 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -173.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -48.01 -35.11 10.42 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.058 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.33 146.49 36.72 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 119.765 1.166 . . . . 0.0 110.783 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -121.84 162.45 20.91 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.39 72.91 1.45 Allowed 'General case' 0 C--N 1.357 0.919 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -80.82 162.26 24.1 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 117.625 -1.179 . . . . 0.0 108.275 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -152.55 156.05 38.6 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.746 1.157 . . . . 0.0 110.831 165.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -129.69 95.99 4.13 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -85.25 128.45 34.69 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.921 -1.514 . . . . 0.0 108.019 -173.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -82.13 -88.59 0.08 Allowed 'General case' 0 C--N 1.353 0.73 0 CA-C-N 120.08 1.309 . . . . 0.0 107.523 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 m -170.98 -62.33 0.02 OUTLIER 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.98 1.264 . . . . 0.0 109.839 -176.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.26 -64.8 2.32 Favored Glycine 0 C--N 1.355 1.63 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.36 60.55 0.2 Allowed Glycine 0 C--N 1.354 1.535 0 C-N-CA 119.713 -1.232 . . . . 0.0 112.023 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -144.86 72.98 1.35 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.4 m -77.07 95.99 4.33 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.65 158.38 29.76 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.53 153.55 43.69 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 121.029 1.741 . . . . 0.0 112.339 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -127.38 69.75 1.3 Allowed 'General case' 0 C--N 1.359 1.011 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -77.48 148.16 35.51 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -169.37 168.92 9.32 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.542 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -128.89 129.96 46.2 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.82 148.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -166.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.27 16.96 55.25 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-O 116.101 -2.499 . . . . 0.0 111.647 -172.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -144.45 14.29 1.6 Allowed 'General case' 0 C--N 1.361 1.09 0 CA-C-N 121.458 2.629 . . . . 0.0 116.627 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 59.88 140.76 0.01 OUTLIER 'General case' 0 C--N 1.351 0.656 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 m -168.0 156.95 9.38 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.33 -1.319 . . . . 0.0 109.043 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -78.64 143.85 35.98 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.6 mt -138.71 144.2 30.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-O 117.604 -1.188 . . . . 0.0 108.725 -175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -83.56 -32.69 25.68 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.656 1.117 . . . . 0.0 111.646 -173.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.7 p 78.62 -94.88 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.766 0 O-C-N 123.727 0.642 . . . . 0.0 111.275 168.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -104.36 -54.99 2.43 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -175.99 -95.35 0.1 OUTLIER Glycine 0 C--N 1.353 1.513 0 C-N-CA 119.39 -1.386 . . . . 0.0 110.767 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.75 -14.72 79.73 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-O 117.633 -1.648 . . . . 0.0 111.486 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -91.99 59.16 3.54 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.758 1.779 . . . . 0.0 109.21 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 14.9 t -65.64 156.25 33.43 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.324 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 78' ' ' THR . 1.6 m-85 -149.05 172.95 13.93 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 169.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -107.61 150.91 26.32 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.677 -1.154 . . . . 0.0 107.913 172.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . . . -158.27 170.91 21.2 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.42 -1.276 . . . . 0.0 111.36 -171.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 m -112.08 100.85 9.18 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.79 145.03 12.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 105.971 -1.862 . . . . 0.0 105.971 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -136.42 -178.08 5.0 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 171.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -129.24 170.81 13.12 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -150.61 57.94 0.93 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.347 170.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.62 -103.59 3.05 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 117.609 -1.662 . . . . 0.0 109.739 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.53 42.15 1.98 Allowed Glycine 0 C--N 1.356 1.645 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -161.47 155.75 22.6 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.094 -0.955 . . . . 0.0 108.765 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.1 tp -117.64 152.19 35.7 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.214 -171.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.3 t -133.58 145.81 32.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.016 -1.468 . . . . 0.0 109.934 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.2 p -155.35 157.7 3.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 120.45 1.477 . . . . 0.0 110.126 170.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -147.48 125.19 11.83 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 34.1 m-85 -111.04 161.02 26.78 Favored Pre-proline 0 C--N 1.354 0.784 0 CA-C-O 115.793 -2.051 . . . . 0.0 106.189 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -78.57 61.39 7.93 Favored 'Trans proline' 0 C--N 1.358 1.064 0 CA-C-N 124.212 2.54 . . . . 0.0 109.273 173.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -170.23 -66.45 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -174.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.557 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 5.3 p90 -127.06 -174.58 3.19 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.36 155.85 45.89 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.71 157.05 34.44 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.962 1.255 . . . . 0.0 109.881 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 p -145.86 103.58 3.78 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.3 m -81.31 163.46 22.9 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -159.14 112.95 2.34 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.697 -1.144 . . . . 0.0 109.888 -169.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -81.27 149.01 5.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 119.682 1.128 . . . . 0.0 108.445 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.41 76.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.63 -85.74 0.75 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -136.92 58.11 1.74 Allowed 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -169.14 138.05 2.05 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 116.894 -1.526 . . . . 0.0 107.141 -172.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.2 tp -104.61 134.64 47.44 Favored 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 m -135.99 160.87 38.67 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 175.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -149.5 171.33 16.78 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.761 -1.114 . . . . 0.0 109.836 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.3 110.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.0 p -80.62 -179.52 7.26 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.077 -177.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.7 m -165.08 148.48 8.44 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.194 -1.384 . . . . 0.0 111.151 171.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -156.15 67.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.868 0 CA-C-N 119.939 1.245 . . . . 0.0 110.595 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 55.53 29.31 53.47 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-O 117.779 -1.567 . . . . 0.0 113.198 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.67 -54.0 0.38 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.8 1.8 . . . . 0.0 111.57 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.88 155.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.1 m -145.32 145.11 31.09 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 115.81 -2.043 . . . . 0.0 106.501 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -132.66 105.81 7.41 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.626 1.557 . . . . 0.0 109.511 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -88.77 162.25 16.33 Favored 'General case' 0 C--N 1.361 1.099 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.342 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -160.0 173.67 15.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 117.648 -1.168 . . . . 0.0 109.422 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.82 81.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 -174.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.1 m -78.25 108.53 11.65 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -71.37 170.0 14.11 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 120.383 1.447 . . . . 0.0 110.113 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -105.22 83.02 1.91 Allowed 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.187 0.93 . . . . 0.0 108.566 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.61 -156.21 0.35 Allowed 'General case' 0 C--N 1.35 0.59 0 CA-C-O 116.539 -1.696 . . . . 0.0 106.731 -174.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.695 0 CA-C-N 120.971 1.714 . . . . 0.0 109.803 179.653 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 58.09 67.87 0.9 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 m -158.1 116.43 3.07 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.524 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.83 -173.49 35.14 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-N 120.509 1.504 . . . . 0.0 111.954 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -110.73 143.03 41.86 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -147.58 169.06 20.42 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.394 -1.289 . . . . 0.0 110.804 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.24 144.98 21.4 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.045 1.293 . . . . 0.0 110.704 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mtt -70.96 85.38 0.7 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 119.082 0.855 . . . . 0.0 109.687 -172.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -53.75 -46.65 70.95 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.434 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.5 t -146.57 160.77 41.72 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.256 -0.878 . . . . 0.0 109.996 -174.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -131.25 163.78 27.03 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.365 -1.302 . . . . 0.0 109.208 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -119.39 -59.91 1.78 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.983 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -123.28 43.58 2.91 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.507 1.049 . . . . 0.0 109.365 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 1.1 t80 -67.72 -47.14 70.2 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.492 -0.766 . . . . 0.0 112.975 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -62.4 -66.04 0.6 Allowed 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.749 1.159 . . . . 0.0 111.144 -169.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.21 -39.6 60.41 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.634 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.437 ' CZ ' ' OG ' ' A' ' 112' ' ' SER . 69.1 t80 -53.06 -48.52 67.63 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.948 1.249 . . . . 0.0 111.424 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -42.31 95.75 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -58.0 -40.96 82.03 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.271 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.57 -50.72 9.62 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.507 1.048 . . . . 0.0 108.755 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.0 tp -41.96 -40.86 2.32 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.945 -0.55 . . . . 0.0 109.942 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.4 65.65 0.64 Allowed Glycine 0 C--N 1.355 1.588 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 171.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.7 mm -121.96 159.81 24.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.992 -1.004 . . . . 0.0 108.695 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -83.69 132.06 34.89 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.711 -1.137 . . . . 0.0 112.518 -171.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.9 p -47.32 -36.11 8.93 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.497 1.044 . . . . 0.0 112.651 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -57.59 -51.93 67.5 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.197 0.908 . . . . 0.0 109.294 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -78.08 -26.33 14.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 117.488 -1.244 . . . . 0.0 110.657 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.04 -54.61 31.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -58.08 -34.48 70.18 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.401 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 34' ' ' PHE . 51.7 mtmt -70.81 -67.41 0.51 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 177.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.67 -29.51 0.3 Allowed 'General case' 0 C--N 1.349 0.554 0 CA-C-N 119.843 1.201 . . . . 0.0 112.865 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -69.81 -61.81 1.63 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 119.826 1.194 . . . . 0.0 109.387 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -76.32 -49.97 15.51 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -174.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LYS . 84.0 t80 -53.86 114.4 1.56 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 175.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -76.94 138.0 39.41 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.1 mt -101.17 147.89 7.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.9 t -104.22 156.06 5.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 m -136.14 131.1 34.27 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 117.53 -1.224 . . . . 0.0 108.389 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -124.5 148.51 47.68 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.69 142.03 29.04 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.405 -1.283 . . . . 0.0 109.868 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -139.19 81.6 1.85 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 171.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.48 146.02 52.69 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.493 -1.241 . . . . 0.0 109.578 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -113.16 -61.31 1.76 Allowed 'General case' 0 C--N 1.358 0.972 0 CA-C-N 119.131 0.878 . . . . 0.0 111.202 -173.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.88 69.47 0.04 OUTLIER Glycine 0 C--N 1.355 1.597 0 CA-C-N 119.773 1.17 . . . . 0.0 110.713 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 96.09 -50.78 0.01 OUTLIER 'General case' 0 C--N 1.352 0.693 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 -170.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -77.69 152.92 33.49 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 170.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 9.7 m-85 -128.07 163.45 24.56 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -134.27 65.25 1.58 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -69.01 164.47 22.29 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.8 m -155.33 159.22 39.79 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.547 164.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -152.0 144.28 24.0 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 116.946 -1.502 . . . . 0.0 107.803 173.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -126.31 140.08 52.8 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 117.332 -1.318 . . . . 0.0 111.714 -161.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CE2' ' CD2' ' A' ' 57' ' ' HIS . 27.7 p90 -161.83 166.99 25.59 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.1 t 53.03 41.02 32.14 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-O 118.656 -0.687 . . . . 0.0 111.456 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 34.03 50.86 0.65 Allowed Glycine 0 C--N 1.357 1.699 0 CA-C-O 119.16 -0.8 . . . . 0.0 113.244 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.84 -51.45 0.35 Allowed Glycine 0 C--N 1.352 1.422 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.877 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.59 ' CD2' ' CE2' ' A' ' 53' ' ' TYR . 19.6 t60 -64.95 92.05 0.1 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 176.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.7 m -93.03 105.25 17.38 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 169.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 ttp -79.98 158.51 26.55 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 172.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.06 154.26 49.28 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 117.511 -1.233 . . . . 0.0 110.195 172.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -134.81 72.27 1.45 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -70.96 150.28 45.84 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 171.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 14.0 p90 -165.68 164.34 19.02 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.129 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.6 m -119.3 134.02 55.43 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.5 m -91.73 145.89 6.96 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 -171.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.34 19.57 76.12 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 117.205 -1.886 . . . . 0.0 109.826 -172.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -141.71 -64.3 0.44 Allowed 'General case' 0 C--N 1.36 1.033 0 CA-C-N 119.826 1.813 . . . . 0.0 110.697 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.259 8.5 pt-20 118.74 157.73 0.0 OUTLIER 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.886 1.274 . . . . 0.0 108.506 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.9 m -156.57 165.44 36.28 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.602 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -77.55 85.41 3.91 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.5 mt -84.98 133.36 29.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 -173.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -86.5 -19.03 30.13 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 116.573 -1.679 . . . . 0.0 112.519 -171.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 75' ' ' GLY . 66.7 p 61.36 172.61 0.11 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 121.112 1.778 . . . . 0.0 112.686 169.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 1.3 -63.05 0.0 OUTLIER 'General case' 0 C--N 1.357 0.924 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 73' ' ' THR . . . 174.2 -83.38 0.08 OUTLIER Glycine 0 C--N 1.354 1.561 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.66 -33.49 84.56 Favored Glycine 0 C--N 1.353 1.526 0 N-CA-C 109.926 -1.269 . . . . 0.0 109.926 175.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -64.39 162.9 14.15 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.44 -1.266 . . . . 0.0 108.473 177.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.449 ' C ' ' CG ' ' A' ' 79' ' ' PHE . 15.3 t -169.36 149.8 4.14 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 119.599 1.09 . . . . 0.0 110.117 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CG ' ' C ' ' A' ' 78' ' ' THR . 0.2 OUTLIER -164.46 176.68 8.8 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 118.924 0.783 . . . . 0.0 110.507 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -108.62 139.16 43.79 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.64 143.9 20.09 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 116.873 -1.537 . . . . 0.0 110.684 -163.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -94.89 107.45 19.48 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.474 -1.251 . . . . 0.0 111.26 -172.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.5 t -82.73 146.34 7.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 175.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -141.77 -171.53 3.36 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.1 ttm -143.93 149.29 36.6 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.316 -174.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -128.77 76.13 1.69 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 171.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.06 -111.65 4.32 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 117.6 -1.666 . . . . 0.0 109.742 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.87 36.46 3.88 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-N 119.468 1.634 . . . . 0.0 110.931 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -144.75 152.79 40.91 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.727 -1.606 . . . . 0.0 107.336 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tp -117.68 152.01 36.09 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.34 1.427 . . . . 0.0 110.566 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.1 t -130.44 145.66 35.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 CA-C-O 116.741 -1.599 . . . . 0.0 110.105 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -154.65 157.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.518 1.508 . . . . 0.0 110.208 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -142.97 128.85 19.45 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.856 -1.068 . . . . 0.0 108.321 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -104.06 160.86 24.71 Favored Pre-proline 0 C--N 1.354 0.792 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -76.49 55.13 4.61 Favored 'Trans proline' 0 C--N 1.355 0.896 0 CA-C-N 124.169 2.525 . . . . 0.0 110.619 173.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -168.49 -71.98 0.02 OUTLIER 'General case' 0 C--N 1.356 0.89 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -174.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -111.1 178.33 4.38 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -135.57 156.91 48.12 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 176.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -153.99 153.5 32.09 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.706 1.139 . . . . 0.0 109.329 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.01 103.36 4.76 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.3 m -77.31 164.0 25.94 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -158.03 129.98 6.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.07 -1.443 . . . . 0.0 111.517 -174.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.11 147.83 7.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 119.838 1.199 . . . . 0.0 108.075 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.7 t -139.64 77.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.25 -79.65 0.89 Allowed Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.03 58.89 1.63 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -169.4 143.7 2.9 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 116.703 -1.617 . . . . 0.0 108.163 -174.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.5 tp -111.42 137.83 48.7 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 104.077 -2.564 . . . . 0.0 104.077 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.27 150.29 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -138.63 165.25 27.39 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.265 -1.35 . . . . 0.0 108.446 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -148.11 98.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.437 ' OG ' ' CZ ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -76.36 175.91 8.68 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.812 -1.089 . . . . 0.0 108.081 -176.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.4 m -164.76 144.93 7.42 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-O 116.361 -1.78 . . . . 0.0 111.267 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.7 tt -155.96 65.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-N 121.028 1.74 . . . . 0.0 110.957 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 48.9 44.8 31.93 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-O 118.598 -1.112 . . . . 0.0 112.358 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 154.13 -45.34 0.56 Allowed Glycine 0 C--N 1.354 1.549 0 CA-C-O 118.491 -1.172 . . . . 0.0 112.365 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.5 t -119.33 158.23 20.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.18 -174.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.4 m -130.93 171.41 13.22 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.418 -1.277 . . . . 0.0 108.132 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -144.25 91.74 2.24 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.096 1.316 . . . . 0.0 108.422 167.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -83.2 151.89 25.47 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-O 118.026 -0.988 . . . . 0.0 111.102 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.57 169.18 23.29 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-O 118.161 -0.923 . . . . 0.0 108.731 -174.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.14 79.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.4 m -70.36 89.43 0.67 Allowed 'General case' 0 C--N 1.353 0.742 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -69.44 171.84 8.11 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 115.756 -2.068 . . . . 0.0 108.568 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.417 ' CZ ' ' O ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -107.65 105.52 15.43 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.47 1.941 . . . . 0.0 106.449 -173.173 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.12 -155.4 0.05 Allowed 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.669 -1.634 . . . . 0.0 106.814 -169.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.686 0 CA-C-N 121.085 1.766 . . . . 0.0 110.752 176.37 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -62.32 75.54 0.02 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-N 118.372 0.533 . . . . 0.0 111.637 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.1 m -164.95 115.53 1.14 Allowed 'General case' 0 C--N 1.349 0.587 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.45 172.54 24.76 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 120.079 1.309 . . . . 0.0 111.101 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 6' ' ' PHE . 15.4 ptmt -88.31 159.73 17.95 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 55.0 m-85 -160.68 170.9 19.86 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 116.775 -1.584 . . . . 0.0 110.931 177.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -153.35 147.57 25.75 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.937 1.699 . . . . 0.0 111.676 167.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 ttp -64.18 145.67 55.57 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.03 -60.96 0.16 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.034 1.288 . . . . 0.0 109.705 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 m -86.35 161.66 18.59 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 171.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -170.5 146.52 2.79 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 116.825 -1.56 . . . . 0.0 106.819 -172.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -159.93 158.77 31.37 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.99 1.723 . . . . 0.0 111.109 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 49.48 27.02 1.87 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.847 1.203 . . . . 0.0 112.229 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -42.15 11.46 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 118.574 0.625 . . . . 0.0 110.406 -173.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -52.77 -56.16 17.65 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.775 0.716 . . . . 0.0 110.3 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.42 -49.13 76.7 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.029 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -46.15 -38.57 8.38 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 119.923 1.238 . . . . 0.0 111.404 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 41.8 mtt -78.5 -34.86 47.15 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.78 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -64.14 -38.83 92.46 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.728 1.149 . . . . 0.0 108.766 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.3 -50.52 53.01 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.553 1.069 . . . . 0.0 108.356 175.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 tp -53.92 -40.1 66.43 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.944 -173.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.97 73.77 0.83 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.7 mm -133.8 158.97 42.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 117.741 -1.123 . . . . 0.0 108.942 -173.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 t -91.21 140.64 29.61 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 119.3 0.955 . . . . 0.0 111.656 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.7 p -51.7 -36.33 46.25 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -170.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -61.09 -47.5 86.04 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.003 1.274 . . . . 0.0 108.965 -176.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -75.77 -22.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 CA-C-O 117.266 -1.35 . . . . 0.0 111.178 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.65 -57.89 9.79 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 121.195 1.816 . . . . 0.0 106.44 171.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -56.94 -33.19 66.76 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.491 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -66.34 -51.87 52.87 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.2 -44.4 0.86 Allowed 'General case' 0 C--N 1.355 0.836 0 O-C-N 123.224 0.327 . . . . 0.0 111.804 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -67.95 -48.39 66.01 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.981 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -92.11 47.43 1.33 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.029 0.831 . . . . 0.0 110.015 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -152.19 116.6 5.01 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.609 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -87.86 75.06 8.93 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 mm -44.89 128.67 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-O 116.843 -1.551 . . . . 0.0 107.12 176.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.1 t -85.53 154.14 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.919 0 N-CA-C 105.512 -2.033 . . . . 0.0 105.512 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 m -142.88 136.72 28.94 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -136.42 145.65 45.52 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t -139.51 147.39 24.27 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.662 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -144.62 93.71 2.45 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -63.7 147.7 50.97 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -143.96 66.59 1.28 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -170.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.88 -159.12 53.36 Favored Glycine 0 C--N 1.352 1.444 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 -172.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -49.75 -34.64 19.72 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.773 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.92 151.25 33.85 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.899 1.227 . . . . 0.0 110.838 174.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -127.52 164.49 21.84 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.62 83.72 2.0 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 172.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 -84.19 166.81 17.26 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.726 -1.13 . . . . 0.0 109.06 -174.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 m -153.18 153.63 33.12 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.86 166.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -133.38 84.95 2.17 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -79.59 152.4 30.09 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.309 -168.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.404 ' CE2' ' CE1' ' A' ' 57' ' ' HIS . 2.7 m-85 -98.76 -69.06 0.77 Allowed 'General case' 0 C--N 1.354 0.763 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 t -160.5 53.84 0.32 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.84 52.8 50.13 Favored Glycine 0 C--N 1.353 1.516 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.94 -79.43 0.04 OUTLIER Glycine 0 C--N 1.354 1.581 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.404 ' CE1' ' CE2' ' A' ' 53' ' ' TYR . 3.4 t-160 -78.27 75.79 4.79 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 105.167 -2.16 . . . . 0.0 105.167 172.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 m -80.46 103.61 10.44 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 172.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 ttp -82.23 150.97 27.05 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.19 150.52 35.07 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 121.371 1.896 . . . . 0.0 112.894 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -132.11 75.26 1.63 Allowed 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.127 0.892 . . . . 0.0 108.968 -175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -74.5 149.68 40.17 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -167.13 169.35 12.81 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.129 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -128.94 132.77 47.66 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.42 147.66 5.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -165.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.41 10.15 56.67 Favored Glycine 0 C--N 1.351 1.398 0 CA-C-O 116.195 -2.447 . . . . 0.0 111.562 -172.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -137.36 1.11 2.37 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 120.992 2.396 . . . . 0.0 116.112 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 63.28 138.49 0.02 OUTLIER 'General case' 0 C--N 1.351 0.646 0 CA-C-N 120.823 1.647 . . . . 0.0 114.29 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.4 m -165.12 157.06 15.29 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.142 -1.409 . . . . 0.0 108.347 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -75.2 144.1 42.84 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.286 1.403 . . . . 0.0 108.04 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -139.93 144.96 27.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.168 -1.396 . . . . 0.0 107.366 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -89.37 -32.84 17.11 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.217 -1.373 . . . . 0.0 111.457 -172.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 p 74.78 166.27 0.29 Allowed 'General case' 0 CA--C 1.503 -0.837 0 CA-C-N 119.593 1.088 . . . . 0.0 110.721 172.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 74.3 mmm -67.07 -32.34 73.45 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.385 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.49 160.76 32.05 Favored Glycine 0 C--N 1.354 1.562 0 N-CA-C 108.909 -1.676 . . . . 0.0 108.909 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.11 -53.39 7.01 Favored Glycine 0 C--N 1.347 1.161 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.5 150.13 3.88 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 118.633 -0.699 . . . . 0.0 110.54 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.5 m -91.83 155.46 18.2 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -138.82 179.92 6.2 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.727 0.694 . . . . 0.0 109.453 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -134.08 148.32 51.01 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.408 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . . . -156.36 162.92 40.02 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 117.163 -1.398 . . . . 0.0 110.324 -172.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.2 m -101.47 96.65 7.28 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.22 144.38 13.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 105.442 -2.058 . . . . 0.0 105.442 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -139.73 176.7 8.51 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 173.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.1 mtp -132.14 170.7 14.63 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -160.53 70.77 0.42 Allowed 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.114 0.884 . . . . 0.0 111.008 169.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.08 -110.24 3.8 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-O 117.464 -1.742 . . . . 0.0 108.877 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.74 42.03 2.04 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 108.624 -1.791 . . . . 0.0 108.624 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.34 152.55 32.22 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.023 0.912 . . . . 0.0 108.867 -176.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.7 tp -123.32 154.58 38.7 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.41 -168.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.0 t -138.49 143.55 32.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-O 116.505 -1.712 . . . . 0.0 109.965 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.18 156.03 5.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 120.855 1.661 . . . . 0.0 110.423 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -149.37 118.53 6.78 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.82 -1.086 . . . . 0.0 108.407 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.515 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 17.9 m-85 -107.26 158.02 34.11 Favored Pre-proline 0 C--N 1.357 0.903 0 CA-C-O 115.784 -2.055 . . . . 0.0 106.04 -177.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.1 71.03 5.21 Favored 'Trans proline' 0 C--N 1.358 1.046 0 CA-C-N 123.825 2.402 . . . . 0.0 107.547 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 178.06 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.344 -170.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.515 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 10.2 p90 -155.53 -178.54 7.35 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -136.6 155.23 50.2 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.55 150.93 27.0 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.959 -1.02 . . . . 0.0 108.713 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.32 110.53 6.6 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 t -84.59 163.88 19.04 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 120.166 1.348 . . . . 0.0 108.429 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -159.97 100.42 1.41 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.531 1.06 . . . . 0.0 110.082 -170.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.55 145.99 13.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 CA-C-O 117.778 -1.106 . . . . 0.0 110.33 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.25 82.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.961 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 62.31 -85.9 0.04 OUTLIER Glycine 0 C--N 1.355 1.597 0 CA-C-O 118.69 -1.061 . . . . 0.0 110.456 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.51 55.96 1.66 Allowed 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.98 171.16 18.77 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tp -140.65 117.57 11.11 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 104.87 -2.271 . . . . 0.0 104.87 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.47 160.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 120.621 1.555 . . . . 0.0 108.985 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -139.2 157.26 46.24 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.313 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.6 t -135.31 95.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.77 172.39 13.18 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.4 m -165.97 150.98 8.45 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 116.331 -1.795 . . . . 0.0 110.552 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.7 tt -159.32 -52.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.822 0 CA-C-N 120.895 1.68 . . . . 0.0 114.368 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.41 69.8 0.23 Allowed Glycine 0 C--N 1.353 1.503 0 CA-C-N 120.826 1.648 . . . . 0.0 109.885 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.37 26.89 72.49 Favored Glycine 0 C--N 1.353 1.476 0 CA-C-O 118.165 -1.353 . . . . 0.0 110.482 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.5 t -147.42 149.56 15.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -139.28 164.36 30.04 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.442 -1.266 . . . . 0.0 107.994 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -133.5 94.95 3.4 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 168.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -78.52 147.03 34.0 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.261 0.937 . . . . 0.0 109.374 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -153.91 152.31 30.46 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 116.257 -1.83 . . . . 0.0 108.109 -171.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 16.1 t -136.8 83.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.813 0 CA-C-N 120.235 1.38 . . . . 0.0 108.631 -168.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 m -72.2 109.41 5.94 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.43 176.89 2.12 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 116.784 -1.579 . . . . 0.0 110.017 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -106.85 72.69 0.91 Allowed 'General case' 0 C--N 1.36 1.044 0 CA-C-N 120.173 1.351 . . . . 0.0 111.427 -169.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.55 -158.99 0.14 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.641 0 CA-C-N 120.83 1.65 . . . . 0.0 109.721 174.573 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -64.75 75.25 0.04 OUTLIER 'General case' 0 C--N 1.354 0.764 0 CA-C-N 118.25 0.477 . . . . 0.0 110.377 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -164.34 119.02 1.45 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.122 -1.418 . . . . 0.0 107.326 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.3 -178.47 27.74 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 120.38 1.445 . . . . 0.0 110.972 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -99.59 145.33 27.67 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -144.86 163.62 33.54 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 116.505 -1.712 . . . . 0.0 108.888 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -144.79 132.86 21.48 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.752 1.614 . . . . 0.0 109.429 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttp -52.88 130.22 32.61 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.753 -1.594 . . . . 0.0 107.87 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -106.88 -52.61 2.74 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.299 1.409 . . . . 0.0 109.133 172.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.7 p -135.63 166.46 23.19 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.305 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -132.06 171.94 13.0 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -156.07 133.63 10.95 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.87 -1.538 . . . . 0.0 108.022 174.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 61.0 14.23 5.17 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.131 1.332 . . . . 0.0 113.995 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 2.9 p90 -71.98 -40.68 68.43 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.536 1.516 . . . . 0.0 110.372 177.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 8.2 t0 -60.6 -49.45 77.48 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 120.075 -0.65 . . . . 0.0 109.257 -170.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.69 -47.08 85.18 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.934 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -52.31 -39.05 60.08 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 118.957 -1.097 . . . . 0.0 111.048 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -42.55 76.49 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -62.82 -32.12 73.26 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.036 -174.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -77.87 -54.51 6.23 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 119.793 1.179 . . . . 0.0 108.76 171.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.4 tp -50.41 -41.16 51.92 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.587 -169.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.78 70.62 0.62 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -132.78 160.99 42.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.907 -172.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -80.06 156.91 26.88 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.29 0.95 . . . . 0.0 113.542 -170.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.7 p -61.15 -43.6 98.63 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 119.198 -0.429 . . . . 0.0 110.497 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.17 -52.23 61.83 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.049 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 m -74.73 -33.36 30.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.874 -174.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.9 mt -51.52 -53.91 14.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-N 119.907 1.231 . . . . 0.0 108.815 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -58.63 -34.33 71.06 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 119.501 -0.88 . . . . 0.0 110.509 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.77 -51.41 22.83 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.14 -0.933 . . . . 0.0 109.496 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.26 -46.16 1.49 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.846 0.748 . . . . 0.0 110.319 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -62.13 -58.99 5.74 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.479 -0.772 . . . . 0.0 109.041 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -100.81 53.0 0.86 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.332 0.515 . . . . 0.0 111.073 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.25 115.18 6.09 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.413 -1.279 . . . . 0.0 109.166 174.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -71.47 78.88 0.78 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.056 1.298 . . . . 0.0 108.087 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.1 mm -51.28 145.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 117.837 -1.078 . . . . 0.0 108.115 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -98.51 153.71 4.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.2 m -143.84 143.76 31.46 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -141.05 146.69 37.51 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.85 150.28 19.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-N 119.954 1.252 . . . . 0.0 111.646 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -144.84 106.38 4.24 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 171.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -82.65 87.47 6.73 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -81.33 70.42 8.18 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.52 -155.82 52.47 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 119.968 -1.11 . . . . 0.0 111.701 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -48.32 -32.87 7.99 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.654 -1.165 . . . . 0.0 110.751 176.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -84.07 150.88 25.29 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.217 1.371 . . . . 0.0 109.079 174.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -124.78 162.99 23.09 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.21 79.53 1.81 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 174.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -88.09 161.63 17.22 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 117.769 -1.11 . . . . 0.0 108.879 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.0 m -152.66 152.3 31.59 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 117.364 -1.303 . . . . 0.0 111.295 165.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -126.83 83.28 2.15 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -76.02 146.01 39.79 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 117.697 -1.144 . . . . 0.0 109.125 -169.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.603 ' CE2' ' CD2' ' A' ' 57' ' ' HIS . 4.5 m-30 -98.17 52.46 1.05 Allowed 'General case' 0 C--N 1.353 0.758 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 174.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.3 t 35.94 44.06 0.23 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 119.209 -0.424 . . . . 0.0 111.512 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.98 -165.01 37.19 Favored Glycine 0 C--N 1.355 1.598 0 C-N-CA 119.272 -1.442 . . . . 0.0 113.488 -174.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.35 -43.63 84.74 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.046 -1.419 . . . . 0.0 113.214 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.603 ' CD2' ' CE2' ' A' ' 53' ' ' TYR . 8.9 t60 -66.18 88.81 0.12 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.282 1.541 . . . . 0.0 107.047 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.8 m -94.28 102.68 14.69 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 170.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.1 ttp -77.78 151.27 34.11 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 104.112 -2.551 . . . . 0.0 104.112 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.84 154.22 39.19 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.648 2.022 . . . . 0.0 113.854 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -128.29 70.93 1.37 Allowed 'General case' 0 C--N 1.36 1.056 0 O-C-N 123.955 0.784 . . . . 0.0 109.629 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -74.23 146.25 43.45 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 169.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -171.22 169.79 6.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.442 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.3 m -126.14 138.21 53.65 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.36 153.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -168.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.34 22.32 58.45 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-O 117.405 -1.775 . . . . 0.0 109.779 -171.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -141.05 -64.13 0.46 Allowed 'General case' 0 C--N 1.359 1.009 0 CA-C-N 119.471 1.636 . . . . 0.0 109.995 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.25 10.9 pt-20 119.03 155.31 0.0 OUTLIER 'General case' 0 C--N 1.359 0.986 0 C-N-CA 124.714 1.206 . . . . 0.0 107.785 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -163.02 166.05 24.14 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.984 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -77.81 139.66 39.34 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 170.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.1 mt -135.26 142.07 40.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 120.085 1.312 . . . . 0.0 107.657 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -75.42 -41.05 56.97 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.036 1.289 . . . . 0.0 111.866 -171.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 p 66.37 162.06 0.16 Allowed 'General case' 0 C--N 1.35 0.59 0 O-C-N 124.139 0.899 . . . . 0.0 112.616 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER 8.9 -76.01 0.0 OUTLIER 'General case' 0 C--N 1.358 0.964 0 O-C-N 125.234 1.584 . . . . 0.0 115.132 -174.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.54 -81.54 0.57 Allowed Glycine 0 C--N 1.355 1.607 0 N-CA-C 107.374 -2.29 . . . . 0.0 107.374 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.67 43.2 1.1 Allowed Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -99.04 61.63 1.26 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -57.23 157.27 6.42 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.606 -0.838 . . . . 0.0 112.481 -169.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -158.43 170.78 21.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.682 -1.151 . . . . 0.0 107.932 171.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -102.8 136.49 42.53 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 170.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -144.99 158.87 43.68 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 116.532 -1.699 . . . . 0.0 108.824 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.3 m -102.43 103.32 13.7 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.821 1.191 . . . . 0.0 108.211 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -76.56 146.5 8.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -139.69 177.91 7.61 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -133.21 168.35 18.7 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 118.405 0.548 . . . . 0.0 110.097 -173.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.5 67.71 1.22 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.443 1.089 . . . . 0.0 108.494 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.82 -90.05 0.77 Allowed Glycine 0 C--N 1.354 1.541 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.545 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -122.54 41.77 1.76 Allowed Glycine 0 C--N 1.355 1.634 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.06 154.56 37.23 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.851 -1.547 . . . . 0.0 107.409 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 tp -126.51 153.45 45.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.403 1.456 . . . . 0.0 112.259 -166.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.4 t -139.33 145.02 27.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.638 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 p -155.54 157.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 120.368 1.44 . . . . 0.0 110.358 171.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -148.57 120.0 7.92 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.458 -1.258 . . . . 0.0 107.747 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.449 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 15.8 m-85 -107.41 157.81 34.73 Favored Pre-proline 0 C--N 1.357 0.921 0 CA-C-O 115.917 -1.992 . . . . 0.0 106.575 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.39 73.51 2.74 Favored 'Trans proline' 0 C--N 1.358 1.037 0 CA-C-N 123.381 2.243 . . . . 0.0 107.672 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 177.07 -50.46 0.01 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.559 -174.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.449 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 7.4 p90 -152.89 179.88 8.26 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.233 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -132.25 153.99 50.09 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 119.659 1.118 . . . . 0.0 108.011 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -160.18 151.44 19.42 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 118.228 -0.892 . . . . 0.0 109.73 -174.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.78 110.69 4.78 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -172.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -90.32 164.89 14.18 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.273 1.397 . . . . 0.0 108.47 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -154.86 131.58 10.68 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.363 -1.303 . . . . 0.0 109.924 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 mm -93.32 147.74 5.25 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.1 t -137.18 75.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.05 -85.32 0.8 Allowed Glycine 0 C--N 1.354 1.574 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -135.05 60.56 1.7 Allowed 'General case' 0 C--N 1.353 0.735 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -168.82 142.58 3.01 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.102 -1.428 . . . . 0.0 107.401 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.2 tp -114.44 137.58 51.66 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.49 168.85 23.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 119.791 1.178 . . . . 0.0 108.83 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -153.46 151.97 30.46 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.586 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.41 103.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.6 p -78.07 -179.42 6.12 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.518 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.5 m -168.9 155.43 6.84 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 116.308 -1.806 . . . . 0.0 109.985 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.7 tt -155.4 -52.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 120.988 1.722 . . . . 0.0 112.989 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -140.91 -77.43 0.05 OUTLIER Glycine 0 C--N 1.354 1.557 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.99 34.36 2.99 Favored Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.6 t -144.77 151.86 15.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -137.43 171.1 14.98 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.274 -1.346 . . . . 0.0 107.668 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.76 86.63 2.23 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.596 1.544 . . . . 0.0 109.591 170.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.06 151.2 44.78 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.421 1.464 . . . . 0.0 109.223 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -163.3 152.56 14.79 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 116.208 -1.853 . . . . 0.0 109.948 -172.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 36.0 m -134.64 98.53 2.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-N 120.589 1.541 . . . . 0.0 110.294 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.9 m -87.18 99.65 12.1 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.36 171.24 0.82 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.333 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -107.31 95.65 5.86 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.62 -158.3 0.31 Allowed 'General case' 0 C--N 1.35 0.629 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -171.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.719 0 CA-C-N 120.272 1.397 . . . . 0.0 111.21 -177.702 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.412 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -69.08 75.43 0.33 Allowed 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.258 0.935 . . . . 0.0 110.891 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m -164.27 121.73 1.71 Allowed 'General case' 0 C--N 1.351 0.641 0 CA-C-O 117.343 -1.313 . . . . 0.0 108.05 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.55 178.23 26.1 Favored Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.31 -1.272 . . . . 0.0 110.747 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -94.05 148.06 22.53 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 172.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -147.28 169.92 18.37 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 116.513 -1.708 . . . . 0.0 109.149 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -157.04 143.98 18.52 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 121.405 1.911 . . . . 0.0 111.354 171.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.2 mtm -62.5 158.99 16.57 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.695 0.68 . . . . 0.0 110.611 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -159.81 -59.19 0.06 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.11 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m -107.42 164.47 12.17 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 30.4 tt0 -161.38 155.45 22.4 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.331 -1.318 . . . . 0.0 110.759 -166.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -159.99 135.31 8.14 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-O 116.938 -1.506 . . . . 0.0 111.31 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 53.45 41.3 32.12 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-N 121.242 1.837 . . . . 0.0 110.4 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -96.73 -53.38 3.57 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 118.476 -0.774 . . . . 0.0 109.299 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.98 -58.0 8.46 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.553 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.32 -51.09 57.52 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 119.442 1.019 . . . . 0.0 109.823 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -52.99 -49.23 66.6 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 118.717 -1.193 . . . . 0.0 111.806 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 32.5 mmm -75.19 -48.42 23.62 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 118.615 0.643 . . . . 0.0 109.861 -173.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -38.67 -47.4 1.34 Allowed 'General case' 0 C--N 1.351 0.659 0 O-C-N 123.31 0.381 . . . . 0.0 110.913 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.38 -36.09 17.98 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.103 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -53.14 -42.07 65.73 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.059 0.845 . . . . 0.0 108.773 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.42 66.21 0.19 Allowed Glycine 0 C--N 1.356 1.65 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.4 mm -134.38 157.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-O 117.478 -1.248 . . . . 0.0 108.774 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 t -91.4 137.38 32.41 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.618 1.099 . . . . 0.0 112.275 -175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.2 t -48.86 -41.63 33.79 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -173.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -57.64 -46.6 83.95 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.018 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.86 -27.74 18.67 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.282 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.23 -56.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -56.38 -27.87 57.48 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.347 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.61 -61.45 2.51 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.278 1.399 . . . . 0.0 109.33 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.67 -31.29 47.13 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 121.146 1.794 . . . . 0.0 111.339 -173.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -67.19 -61.66 1.81 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.261 -0.975 . . . . 0.0 109.484 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -69.21 -55.2 11.28 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.793 -177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -71.43 134.1 46.37 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.454 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -81.4 96.69 7.43 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.84 141.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 106.236 -1.765 . . . . 0.0 106.236 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.9 t -94.77 154.2 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.892 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.7 m -136.13 121.43 19.18 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 117.083 -1.437 . . . . 0.0 108.138 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -117.47 152.89 34.11 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.3 t -144.36 147.97 18.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-O 118.097 -0.954 . . . . 0.0 108.769 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -146.59 91.86 2.09 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 164.6 23.67 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.256 -173.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -147.48 67.52 1.13 Allowed 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -171.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.79 -151.06 49.6 Favored Glycine 0 C--N 1.351 1.401 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 -173.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -48.28 -38.41 18.7 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.379 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.25 156.07 31.69 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.65 1.113 . . . . 0.0 110.833 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.94 164.36 26.3 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.904 0.775 . . . . 0.0 109.854 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -135.99 67.93 1.46 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -71.39 162.82 28.82 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -174.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 m -156.7 161.12 39.85 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 119.02 -1.072 . . . . 0.0 110.05 164.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -151.71 143.64 23.8 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 116.838 -1.554 . . . . 0.0 107.938 172.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -130.39 142.07 50.53 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-O 117.305 -1.331 . . . . 0.0 111.954 -160.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' CD2' ' A' ' 57' ' ' HIS . 28.0 p90 -165.19 172.87 11.97 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.311 0.96 . . . . 0.0 113.283 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 t 46.94 44.42 14.63 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 175.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.88 -92.12 0.01 OUTLIER Glycine 0 C--N 1.353 1.527 0 CA-C-O 118.424 -1.209 . . . . 0.0 111.967 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.11 65.46 3.97 Favored Glycine 0 C--N 1.355 1.614 0 CA-C-N 118.929 1.364 . . . . 0.0 111.565 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' CD2' ' CE1' ' A' ' 53' ' ' TYR . 34.9 t60 -164.16 133.8 3.96 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.744 -1.122 . . . . 0.0 109.041 172.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 m -135.5 109.41 8.15 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 168.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.4 ttp -76.28 149.38 37.12 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 173.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -140.19 144.18 36.47 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 120.126 1.33 . . . . 0.0 110.556 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -132.33 73.77 1.55 Allowed 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -173.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.73 151.28 46.86 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 170.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -166.26 168.79 14.85 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.784 -1.103 . . . . 0.0 111.252 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 m -126.26 131.08 51.98 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -89.87 143.09 11.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.42 19.42 74.43 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-O 117.311 -1.827 . . . . 0.0 109.642 -175.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -137.77 -71.88 0.43 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 119.461 1.63 . . . . 0.0 109.518 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.273 14.1 pt-20 124.61 150.56 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -165.4 159.98 17.58 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.785 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -67.21 132.11 47.12 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 106.328 -1.731 . . . . 0.0 106.328 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.0 mt -130.7 134.54 61.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -87.44 123.08 31.99 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.0 p -95.47 171.24 8.81 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 119.425 1.012 . . . . 0.0 113.028 -168.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 55.79 3.44 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 171.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.25 -131.18 1.19 Allowed Glycine 0 C--N 1.355 1.638 0 CA-C-O 117.918 -1.49 . . . . 0.0 112.82 -168.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.45 -49.7 7.96 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 119.453 1.627 . . . . 0.0 111.646 -173.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 7.4 ptpp? -165.13 172.58 12.39 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.918 -171.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -69.53 155.72 40.03 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.797 1.181 . . . . 0.0 110.034 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.474 ' CE1' ' O ' ' A' ' 77' ' ' LYS . 2.2 m-85 -148.83 168.88 21.81 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.08 172.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -100.86 82.26 2.38 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.417 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . . . -84.79 163.59 19.01 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 117.406 -1.283 . . . . 0.0 109.932 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.1 m -102.99 106.03 16.47 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.879 -1.058 . . . . 0.0 109.008 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.15 150.14 4.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-O 117.335 -1.317 . . . . 0.0 107.671 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -144.75 -177.67 5.63 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 38.5 ttm -139.54 148.97 43.33 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 116.954 -1.498 . . . . 0.0 108.968 -173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -141.09 62.74 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.379 1.445 . . . . 0.0 110.399 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 64.93 80.59 0.14 Allowed Glycine 0 C--N 1.353 1.526 0 C-N-CA 119.906 -1.14 . . . . 0.0 110.999 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 65.52 37.37 93.62 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -158.11 149.98 21.72 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.639 -1.648 . . . . 0.0 108.092 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tp -120.39 157.97 28.15 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.934 1.243 . . . . 0.0 109.197 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.2 t -143.47 141.73 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.832 0 CA-C-O 116.115 -1.898 . . . . 0.0 108.885 -172.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -155.89 157.03 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 121.09 1.768 . . . . 0.0 110.232 173.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -149.92 121.49 8.0 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.525 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.451 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 10.4 m-85 -112.57 157.14 41.1 Favored Pre-proline 0 C--N 1.356 0.89 0 CA-C-O 115.949 -1.977 . . . . 0.0 105.734 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.81 74.98 2.73 Favored 'Trans proline' 0 C--N 1.356 0.971 0 CA-C-N 123.672 2.347 . . . . 0.0 107.7 170.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 177.37 -51.05 0.01 OUTLIER 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.998 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 2.9 p90 -154.24 -175.99 5.66 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.87 157.47 46.74 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.63 150.71 28.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.591 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.3 108.99 8.53 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 174.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.4 m -80.91 163.81 23.07 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 117.739 -1.124 . . . . 0.0 107.996 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -161.11 130.08 4.63 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.196 -1.383 . . . . 0.0 110.835 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mm -89.67 145.84 6.92 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 CA-C-N 119.71 1.141 . . . . 0.0 107.937 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -136.23 73.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.862 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.13 -86.05 0.58 Allowed Glycine 0 C--N 1.355 1.605 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -135.26 57.7 1.79 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -170.37 133.36 1.07 Allowed 'General case' 0 C--N 1.351 0.635 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -175.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.5 tp -102.2 142.02 34.1 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 104.907 -2.257 . . . . 0.0 104.907 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.19 165.13 28.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-N 119.777 1.171 . . . . 0.0 108.564 175.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -146.14 162.1 38.72 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.188 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.6 t -138.44 93.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -72.77 170.08 15.37 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 65.9 m -166.13 156.41 12.52 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 116.927 -1.511 . . . . 0.0 110.671 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -156.1 -51.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-N 120.023 1.283 . . . . 0.0 112.587 174.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -139.0 -78.56 0.06 OUTLIER Glycine 0 C--N 1.356 1.639 0 N-CA-C 108.19 -1.964 . . . . 0.0 108.19 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.23 33.71 3.26 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 67.6 t -141.28 154.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -155.05 130.67 9.88 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 116.458 -1.734 . . . . 0.0 108.077 -174.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -100.3 95.62 6.9 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 -178.135 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -81.94 143.54 31.57 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.301 -1.333 . . . . 0.0 108.084 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -150.74 173.21 14.45 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-O 116.975 -1.488 . . . . 0.0 108.473 -173.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.9 m -141.84 112.0 2.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.8 m -94.03 102.07 14.13 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 104.906 -2.257 . . . . 0.0 104.906 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -62.54 167.02 4.67 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 116.955 -1.498 . . . . 0.0 109.804 -176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.05 95.04 5.5 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -175.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.64 -154.66 0.14 Allowed 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.116 -1.421 . . . . 0.0 107.518 -173.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.658 0 CA-C-N 120.762 1.619 . . . . 0.0 110.232 -178.343 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 48.53 76.86 0.11 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.438 0.563 . . . . 0.0 111.555 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.0 m -158.14 122.28 4.12 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.909 -1.043 . . . . 0.0 108.208 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.13 -174.15 37.68 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 118.419 -1.212 . . . . 0.0 111.067 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -112.39 142.81 44.47 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 173.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -147.94 168.67 21.66 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 116.948 -1.501 . . . . 0.0 109.749 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -152.81 153.43 33.11 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 120.782 1.628 . . . . 0.0 110.927 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.5 ttm -70.51 141.77 51.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.215 -1.374 . . . . 0.0 110.507 -170.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -115.8 -57.56 2.21 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.023 0.827 . . . . 0.0 109.176 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -146.18 174.34 11.41 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.89 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -138.86 174.39 10.57 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.703 -1.142 . . . . 0.0 109.667 -173.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -118.34 -61.09 1.71 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.822 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -126.6 34.83 4.73 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.597 1.09 . . . . 0.0 110.591 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 39.4 t80 -56.72 -52.7 63.97 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 118.591 -0.719 . . . . 0.0 112.923 -176.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.24 -56.37 20.73 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.878 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.15 -51.83 67.42 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.384 -0.927 . . . . 0.0 110.01 -175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -43.62 -40.13 3.93 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.717 176.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.473 ' SD ' ' CE1' ' A' ' 14' ' ' TYR . 16.1 mtt -82.0 -32.29 30.65 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 117.51 -1.234 . . . . 0.0 110.856 -177.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -34.29 59.73 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.143 1.338 . . . . 0.0 109.937 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.0 0.84 13.16 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.209 -1.377 . . . . 0.0 114.137 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.2 tp -70.8 -48.15 55.73 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 164.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.95 62.75 0.08 OUTLIER Glycine 0 C--N 1.359 1.825 0 CA-C-O 117.691 -1.616 . . . . 0.0 110.981 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.8 mm -128.75 156.33 41.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 CA-C-N 119.009 1.404 . . . . 0.0 108.572 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 t -81.09 149.6 29.13 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.863 -1.065 . . . . 0.0 112.972 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.5 p -72.58 69.55 0.88 Allowed 'General case' 0 C--N 1.36 1.022 0 CA-C-N 119.126 0.876 . . . . 0.0 111.874 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -172.85 -56.01 0.02 OUTLIER 'General case' 0 C--N 1.35 0.589 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.1 t -55.47 -41.93 65.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.7 mt -48.37 -64.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 174.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -51.16 -31.75 20.89 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.767 -173.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -67.13 -70.02 0.28 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.401 -1.285 . . . . 0.0 110.133 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.95 -26.57 6.13 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.559 1.527 . . . . 0.0 112.316 -168.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -60.61 -63.04 1.44 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.046 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -72.02 -53.37 13.15 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.356 -0.937 . . . . 0.0 109.141 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -57.11 115.91 2.92 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.773 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -75.09 101.04 4.4 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.9 146.02 12.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.0 t -98.02 155.98 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 m -141.67 125.29 16.82 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 117.172 -1.394 . . . . 0.0 109.751 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -117.29 154.49 31.13 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.7 t -141.59 144.79 25.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.422 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -146.01 102.64 3.66 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.18 166.36 6.2 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.735 1.152 . . . . 0.0 110.822 -175.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -150.02 59.32 0.98 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.21 -151.64 50.15 Favored Glycine 0 C--N 1.353 1.502 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -49.52 -34.47 17.41 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.823 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -77.06 147.65 36.58 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.13 1.332 . . . . 0.0 110.276 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -119.99 167.59 12.01 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.38 75.53 1.53 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -81.86 162.68 22.71 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 117.514 -1.231 . . . . 0.0 109.316 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 m -155.21 149.42 25.92 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.412 -1.28 . . . . 0.0 111.806 166.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -121.95 95.44 4.66 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -82.53 134.42 35.2 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 117.262 -1.351 . . . . 0.0 109.425 -172.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -81.87 -71.29 0.49 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -158.63 56.78 0.44 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 118.901 0.773 . . . . 0.0 108.957 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.15 56.41 20.59 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.41 -79.45 0.05 OUTLIER Glycine 0 C--N 1.353 1.506 0 C-N-CA 119.889 -1.148 . . . . 0.0 110.252 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -81.48 73.97 8.49 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 173.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.9 m -79.74 97.95 6.81 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.5 ttp -75.33 152.93 38.09 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 173.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.42 153.86 40.12 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 121.026 1.739 . . . . 0.0 112.603 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -131.83 75.52 1.65 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -78.37 144.67 35.76 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 172.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -167.36 171.44 10.59 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.733 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.6 m -130.03 133.98 47.1 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.58 152.06 3.4 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 CA-C-N 118.787 0.722 . . . . 0.0 109.387 -166.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.06 23.55 59.61 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-O 116.82 -2.1 . . . . 0.0 110.339 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -139.24 -48.83 0.49 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 119.897 1.848 . . . . 0.0 114.225 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 104.21 132.18 0.01 OUTLIER 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.518 1.053 . . . . 0.0 109.222 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.6 m -160.18 159.84 32.13 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.188 -1.387 . . . . 0.0 108.575 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -71.04 145.47 49.92 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.312 1.415 . . . . 0.0 107.521 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.5 mt -134.87 139.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.93 -34.93 51.04 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 120.337 1.426 . . . . 0.0 110.527 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.281 6.3 p 69.96 -142.32 0.08 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 117.658 -1.163 . . . . 0.0 108.268 175.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.14 130.09 40.05 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 116.917 -1.516 . . . . 0.0 108.3 -167.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.11 -95.3 0.01 OUTLIER Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.969 1.259 . . . . 0.0 110.204 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.98 41.62 1.01 Allowed Glycine 0 C--N 1.353 1.486 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -89.18 70.9 8.34 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.1 m -64.97 126.92 29.53 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.821 -169.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -124.07 -178.06 3.96 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.796 -1.927 . . . . 0.0 105.796 167.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -120.64 151.4 39.51 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 171.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.5 157.97 31.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 116.947 -1.502 . . . . 0.0 110.973 -169.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 m -103.44 102.88 12.81 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -75.02 144.78 11.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.44 -179.22 5.61 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 171.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -129.46 167.22 18.16 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -157.78 179.43 9.22 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.406 -1.283 . . . . 0.0 109.305 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -35.4 95.29 0.01 OUTLIER Glycine 0 C--N 1.355 1.604 0 CA-C-O 118.467 -1.185 . . . . 0.0 115.649 -173.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.91 43.61 71.36 Favored Glycine 0 C--N 1.357 1.715 0 CA-C-N 118.897 1.349 . . . . 0.0 110.295 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -164.22 158.24 18.77 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.244 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -121.66 152.67 39.08 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 117.684 -1.15 . . . . 0.0 109.923 -172.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.0 t -136.6 144.99 31.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-O 116.998 -1.477 . . . . 0.0 109.8 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.9 p -155.88 158.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 120.459 1.481 . . . . 0.0 109.869 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -144.96 124.07 12.86 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.879 -1.058 . . . . 0.0 108.233 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 68.0 m-85 -105.16 160.53 25.69 Favored Pre-proline 0 C--N 1.356 0.863 0 CA-C-O 115.831 -2.033 . . . . 0.0 106.226 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.24 69.51 4.01 Favored 'Trans proline' 0 C--N 1.357 0.99 0 CA-C-N 123.651 2.339 . . . . 0.0 110.015 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.3 p30 165.01 -72.1 0.0 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.025 -0.988 . . . . 0.0 108.483 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.538 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 3.2 p90 -101.24 172.92 6.71 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -139.24 156.18 47.26 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 177.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -154.28 152.83 30.75 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.616 1.098 . . . . 0.0 109.777 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.8 p -143.46 106.45 4.51 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.3 m -83.21 163.6 20.67 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-N 119.876 1.216 . . . . 0.0 108.429 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -159.42 131.19 6.31 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.133 -1.413 . . . . 0.0 109.704 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.6 mm -93.18 149.17 4.33 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 CA-C-N 119.99 1.268 . . . . 0.0 107.797 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.8 t -138.19 76.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.89 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.76 -85.35 0.76 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -136.03 59.37 1.71 Allowed 'General case' 0 C--N 1.354 0.781 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -170.13 143.22 2.42 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.066 -1.445 . . . . 0.0 107.515 -172.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.0 tp -110.9 137.31 48.7 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 m -134.47 160.4 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 CA-C-N 119.782 1.174 . . . . 0.0 108.349 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -139.42 167.47 22.0 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.823 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.3 t -143.27 101.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-O 116.427 -1.749 . . . . 0.0 106.63 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 171.44 10.42 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.043 1.747 . . . . 0.0 106.759 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.5 m -165.1 149.73 9.05 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 116.028 -1.939 . . . . 0.0 110.591 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.9 tt -161.72 -48.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 120.92 1.691 . . . . 0.0 114.789 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.49 75.79 0.12 Allowed Glycine 0 C--N 1.354 1.557 0 CA-C-N 121.246 1.839 . . . . 0.0 110.424 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.59 26.64 72.66 Favored Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.161 -1.355 . . . . 0.0 110.684 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.4 152.95 14.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 83.2 m -151.66 114.74 4.72 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -102.35 87.27 2.99 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 119.629 1.104 . . . . 0.0 108.065 -175.494 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.5 161.99 18.3 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.107 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -165.88 155.69 12.38 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 115.993 -1.956 . . . . 0.0 109.522 -162.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.1 m -134.58 83.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-N 120.921 1.692 . . . . 0.0 111.636 -170.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.1 m -69.5 131.93 45.5 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.575 1.534 . . . . 0.0 107.367 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -90.92 167.29 12.53 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 120.639 1.563 . . . . 0.0 107.241 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -102.99 79.62 1.78 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.959 1.254 . . . . 0.0 109.366 -169.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.94 -156.94 0.23 Allowed 'General case' 0 C--N 1.352 0.707 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -173.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.633 0 CA-C-N 120.511 1.505 . . . . 0.0 110.028 178.236 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 51.05 61.92 2.99 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 m -155.47 112.06 3.19 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.09 -171.79 38.08 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-O 118.095 -1.392 . . . . 0.0 110.632 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -113.59 145.1 41.8 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -146.16 170.78 16.02 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.392 -1.29 . . . . 0.0 110.023 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.29 147.42 24.71 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.844 1.202 . . . . 0.0 110.05 170.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ttp -50.92 133.7 26.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 116.605 -1.664 . . . . 0.0 109.736 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -99.73 -57.72 2.08 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 120.661 1.573 . . . . 0.0 110.346 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 m -132.94 -56.94 0.93 Allowed 'General case' 0 C--N 1.358 0.969 0 CA-C-O 117.154 -1.403 . . . . 0.0 114.178 -170.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 87.13 153.14 0.06 Allowed 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.669 1.122 . . . . 0.0 111.151 -174.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -159.48 138.6 11.1 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.096 -1.43 . . . . 0.0 108.444 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 60.99 16.53 7.08 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.934 1.243 . . . . 0.0 113.281 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -63.4 -49.15 74.94 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.098 0.863 . . . . 0.0 113.123 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -59.33 -63.23 1.38 Allowed 'General case' 0 C--N 1.348 0.532 0 CA-C-N 120.248 1.385 . . . . 0.0 113.083 -168.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.41 -43.16 97.0 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.207 -174.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -43.51 -39.74 3.54 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 119.733 1.152 . . . . 0.0 112.716 176.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.3 mmm -78.94 -35.76 42.79 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 118.374 -0.822 . . . . 0.0 108.992 -174.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -62.03 -35.02 77.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.776 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.13 -51.4 13.54 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.938 1.244 . . . . 0.0 108.884 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.9 tp -46.36 -40.57 12.16 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.605 -173.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.85 68.47 0.46 Allowed Glycine 0 C--N 1.354 1.556 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 175.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.1 mm -130.6 157.31 42.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.877 -1.059 . . . . 0.0 108.66 -174.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -86.64 134.39 33.62 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.835 -1.079 . . . . 0.0 111.719 -175.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.3 t -46.27 -41.38 13.01 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.311 0.959 . . . . 0.0 112.756 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -53.83 -50.58 65.86 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.609 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -81.18 -23.13 10.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-O 117.393 -1.289 . . . . 0.0 111.014 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.2 mt -55.82 -47.2 79.88 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 120.91 1.686 . . . . 0.0 107.199 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -58.67 -32.76 69.4 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 118.168 -0.92 . . . . 0.0 111.214 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -61.16 -67.33 0.42 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.949 1.25 . . . . 0.0 108.69 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.79 -3.18 14.41 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.592 -1.194 . . . . 0.0 112.732 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -64.6 -49.88 69.37 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.67 1.577 . . . . 0.0 108.096 169.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -136.8 45.15 2.3 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.96 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -114.72 135.79 53.77 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 171.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -73.39 146.77 44.88 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -132.83 125.46 52.44 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -85.4 150.01 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m -136.92 124.46 22.21 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -122.02 149.75 43.06 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -139.4 143.78 30.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-O 117.42 -1.276 . . . . 0.0 108.241 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -139.23 86.98 2.16 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 171.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -61.8 151.43 34.27 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.432 -0.794 . . . . 0.0 108.929 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -147.36 68.21 1.14 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -172.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.27 -156.45 52.21 Favored Glycine 0 C--N 1.352 1.423 0 C-N-CA 119.328 -1.415 . . . . 0.0 109.654 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -45.57 -38.21 6.24 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.127 174.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.89 147.87 36.78 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.503 1.047 . . . . 0.0 110.674 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.68 164.67 18.64 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -136.47 73.19 1.44 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -78.45 164.23 24.94 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.553 -171.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.8 m -151.93 154.46 36.13 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.706 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -135.11 89.4 2.52 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -80.28 140.42 36.2 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.674 -1.155 . . . . 0.0 109.631 -171.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -93.26 72.03 4.52 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 104.413 -2.44 . . . . 0.0 104.413 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t 67.3 -70.32 0.12 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.788 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.07 68.7 0.1 Allowed Glycine 0 C--N 1.355 1.598 0 CA-C-N 120.119 1.327 . . . . 0.0 111.642 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.64 -75.71 0.05 OUTLIER Glycine 0 C--N 1.354 1.538 0 C-N-CA 119.761 -1.209 . . . . 0.0 110.473 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -75.41 79.54 2.47 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 105.261 -2.125 . . . . 0.0 105.261 172.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 m -78.28 101.23 7.05 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 173.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 43.2 ttp -81.99 154.46 25.69 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 171.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.96 154.3 47.15 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.213 1.369 . . . . 0.0 111.218 175.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -128.69 75.08 1.61 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.5 145.22 45.79 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -162.71 166.31 24.54 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.411 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -125.32 134.24 52.31 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -88.26 153.13 3.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -169.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.31 22.05 57.92 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-O 117.295 -1.836 . . . . 0.0 110.702 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -140.07 -63.74 0.49 Allowed 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.76 1.78 . . . . 0.0 109.857 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.283 8.9 pt-20 113.18 154.04 0.0 OUTLIER 'General case' 0 C--N 1.356 0.883 0 C-N-CA 124.919 1.288 . . . . 0.0 108.054 177.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.1 m -156.9 168.08 28.54 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.403 -1.284 . . . . 0.0 108.359 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -79.66 87.67 5.19 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.1 mt -83.64 142.99 12.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.404 -172.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -99.93 56.46 0.96 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 118.622 0.646 . . . . 0.0 110.831 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 t -49.06 163.37 0.09 Allowed 'General case' 0 C--N 1.352 0.684 0 O-C-N 121.915 -0.491 . . . . 0.0 111.384 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.6 mmt -46.51 141.07 3.87 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.4 -0.809 . . . . 0.0 108.869 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.55 -172.81 30.26 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.59 25.79 12.87 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-O 118.022 -1.432 . . . . 0.0 110.639 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -162.67 173.55 13.73 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 119.374 1.587 . . . . 0.0 110.47 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -84.84 158.47 20.63 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 170.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -135.12 177.8 7.53 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.382 -1.294 . . . . 0.0 107.517 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -128.97 142.85 50.79 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB3' ' CD2' ' A' ' 94' ' ' PHE . . . -163.66 144.59 8.95 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.97 -1.49 . . . . 0.0 109.924 -169.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -95.59 107.97 20.2 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.398 0.999 . . . . 0.0 109.767 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.2 t -77.99 147.11 7.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -137.1 -177.87 4.95 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -155.62 149.57 25.45 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 117.488 -1.244 . . . . 0.0 108.763 -169.155 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.403 ' N ' ' SD ' ' A' ' 85' ' ' MET . 1.2 pp20? -151.54 164.65 36.37 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 119.482 1.037 . . . . 0.0 110.702 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.08 90.46 0.06 OUTLIER Glycine 0 C--N 1.354 1.549 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -176.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.06 -40.01 1.33 Allowed Glycine 0 C--N 1.355 1.589 0 CA-C-O 118.021 -1.433 . . . . 0.0 111.418 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -159.79 170.41 21.53 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.417 1.608 . . . . 0.0 112.058 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.9 tp -102.74 152.85 20.75 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 117.313 -1.327 . . . . 0.0 107.757 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.4 t -132.42 145.99 33.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-O 116.755 -1.593 . . . . 0.0 109.794 -176.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.8 p -155.35 157.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 120.97 1.714 . . . . 0.0 110.507 171.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -147.85 144.16 27.94 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.273 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.454 ' CE1' ' CE1' ' A' ' 97' ' ' TYR 0.253 24.8 m-85 -124.64 165.82 23.12 Favored Pre-proline 0 C--N 1.354 0.774 0 CA-C-O 116.097 -1.906 . . . . 0.0 106.393 -174.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -77.46 58.34 6.28 Favored 'Trans proline' 0 C--N 1.357 0.975 0 CA-C-N 123.588 2.317 . . . . 0.0 109.835 169.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -173.58 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.357 0.906 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.454 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 1.4 p90 -113.43 -178.65 3.43 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -139.31 157.39 45.98 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.98 153.58 28.27 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.524 1.056 . . . . 0.0 110.376 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.25 103.67 4.47 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 -178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 m -78.05 163.02 26.27 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 107.454 -1.314 . . . . 0.0 107.454 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -160.44 117.21 2.42 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.731 1.15 . . . . 0.0 110.058 -171.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mm -89.36 150.52 3.69 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-N 119.346 0.976 . . . . 0.0 108.641 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -139.04 75.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.78 -82.93 0.82 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -138.39 63.02 1.54 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -172.34 137.57 0.88 Allowed 'General case' 0 C--N 1.351 0.64 0 CA-C-O 116.632 -1.651 . . . . 0.0 106.922 -173.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.1 tp -112.03 134.68 53.43 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.31 160.52 40.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -140.13 167.33 22.39 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.369 -1.301 . . . . 0.0 109.575 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.8 t -139.15 96.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.8 m -78.09 170.1 17.17 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.155 0.889 . . . . 0.0 109.441 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.6 m -161.58 147.65 13.96 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 116.996 -1.478 . . . . 0.0 110.952 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.8 tt -158.37 74.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-N 119.821 1.191 . . . . 0.0 110.616 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 61.81 22.24 61.89 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 117.346 -1.808 . . . . 0.0 113.469 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.43 -48.89 0.58 Allowed Glycine 0 C--N 1.356 1.67 0 CA-C-N 120.207 2.003 . . . . 0.0 111.63 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.9 t -89.38 153.61 3.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -128.47 164.85 21.86 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -139.43 91.33 2.48 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 167.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -89.45 164.41 14.85 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.922 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -161.64 165.96 27.51 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 117.105 -1.426 . . . . 0.0 109.944 -173.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.42 82.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.654 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -170.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.0 m -79.45 97.98 6.61 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -62.1 170.44 2.21 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.084 -1.436 . . . . 0.0 109.988 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -106.21 84.06 1.98 Allowed 'General case' 0 C--N 1.359 1.016 0 CA-C-N 119.913 1.233 . . . . 0.0 108.932 -172.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.1 -157.44 0.13 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -175.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.727 0 CA-C-N 120.548 1.522 . . . . 0.0 110.876 175.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 49.24 63.54 2.1 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.941 0.791 . . . . 0.0 108.922 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.7 m -159.75 122.49 3.48 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.464 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.28 175.56 24.01 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 118.384 -1.231 . . . . 0.0 110.63 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -92.01 145.98 24.1 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.206 -1.775 . . . . 0.0 106.206 170.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -142.59 165.84 26.3 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 116.766 -1.587 . . . . 0.0 108.873 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -146.24 127.02 14.37 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 116.795 -1.574 . . . . 0.0 110.598 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttp -48.1 109.84 0.27 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-O 117.513 -1.232 . . . . 0.0 108.922 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.14 -53.47 5.76 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.144 1.338 . . . . 0.0 108.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 p -154.26 172.66 17.28 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.129 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.33 170.77 16.11 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 118.795 0.725 . . . . 0.0 111.497 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -143.01 155.27 44.62 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 165.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 52.65 21.03 1.71 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.416 1.007 . . . . 0.0 113.555 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -76.3 -49.77 16.08 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.354 0.979 . . . . 0.0 110.767 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.25 -56.89 12.9 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.359 -173.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.9 -52.41 65.15 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.102 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -43.12 -43.05 4.31 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 120.058 1.299 . . . . 0.0 111.861 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 36.5 mmm -76.86 -34.79 57.79 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.469 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -35.84 81.65 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.815 -1.088 . . . . 0.0 108.491 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.65 -51.8 31.54 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 120.398 1.454 . . . . 0.0 107.918 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.6 tp -48.28 -42.63 31.27 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.38 58.96 0.22 Allowed Glycine 0 C--N 1.356 1.647 0 CA-C-O 117.809 -1.551 . . . . 0.0 110.865 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.0 mm -126.53 155.16 36.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.952 0 CA-C-N 118.762 1.281 . . . . 0.0 108.055 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -72.77 159.92 33.02 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 p -86.04 65.46 9.11 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -167.03 -56.38 0.03 OUTLIER 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.87 -45.96 87.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 169.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.5 mt -52.39 -57.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -56.03 -36.6 68.17 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.132 -171.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -75.6 -64.35 1.09 Allowed 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.04 -38.37 0.32 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 118.011 -0.995 . . . . 0.0 113.572 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -77.38 -44.23 30.02 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.195 0.907 . . . . 0.0 111.191 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -74.73 -54.49 7.28 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 35' ' ' LYS . 2.2 t80 -50.05 116.13 1.7 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 173.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 45.4 mmtm -61.49 155.93 20.68 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 175.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 mt -133.5 153.81 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.76 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.4 t -104.82 155.6 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -174.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.1 m -146.02 121.71 10.5 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 116.805 -1.569 . . . . 0.0 107.911 176.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -115.43 153.44 31.08 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.21 147.41 19.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 117.974 -1.013 . . . . 0.0 108.662 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -146.72 94.39 2.43 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 167.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -65.46 161.67 19.49 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 119.373 -0.931 . . . . 0.0 108.838 -174.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -148.73 65.73 1.05 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -172.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.85 -152.25 52.6 Favored Glycine 0 C--N 1.352 1.426 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -50.36 -37.06 35.14 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.747 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.59 156.11 33.02 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.724 1.147 . . . . 0.0 111.083 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 8.7 m-85 -133.14 166.01 23.44 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.883 0.765 . . . . 0.0 109.554 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.3 p -133.57 68.93 1.48 Allowed 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.052 -1.832 . . . . 0.0 106.052 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -76.48 159.88 30.0 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 116.935 -1.507 . . . . 0.0 107.825 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 m -154.86 155.15 33.86 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.114 168.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -127.33 144.42 51.05 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 115.728 -2.082 . . . . 0.0 106.707 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -135.97 139.54 43.28 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 121.462 1.937 . . . . 0.0 108.823 -177.733 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.622 ' CZ ' ' NE2' ' A' ' 57' ' ' HIS . 15.2 p90 -158.86 64.74 0.42 Allowed 'General case' 0 C--N 1.354 0.797 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.692 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.2 t 139.01 147.25 0.0 OUTLIER 'General case' 0 C--N 1.356 0.891 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 174.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.09 85.55 0.1 OUTLIER Glycine 0 C--N 1.355 1.627 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.03 -54.58 0.56 Allowed Glycine 0 C--N 1.354 1.544 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.622 ' NE2' ' CZ ' ' A' ' 53' ' ' TYR . 56.2 t60 -67.95 134.56 50.98 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.383 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.6 m -150.76 106.19 3.37 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 166.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 27.9 ttp -81.23 155.51 26.08 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 175.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.0 m -141.64 145.82 35.43 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 121.199 1.818 . . . . 0.0 112.451 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -132.86 72.75 1.5 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -66.67 148.19 52.25 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 169.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.419 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 9.6 p90 -162.22 168.55 22.24 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 119.271 0.942 . . . . 0.0 110.921 178.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -129.89 128.83 43.0 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.44 142.02 13.54 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -168.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.49 17.78 74.86 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-O 116.728 -2.151 . . . . 0.0 110.129 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -137.47 -70.97 0.44 Allowed 'General case' 0 C--N 1.361 1.08 0 CA-C-N 120.296 2.048 . . . . 0.0 109.367 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.254 15.5 pt-20 129.38 156.73 0.0 OUTLIER 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.487 1.115 . . . . 0.0 109.279 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 m -160.48 158.54 29.51 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.558 -1.21 . . . . 0.0 109.397 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -69.61 82.31 0.42 Allowed 'General case' 0 C--N 1.357 0.928 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.16 134.84 26.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 CA-C-O 117.295 -1.336 . . . . 0.0 109.492 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.0 151.34 21.09 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 p -131.36 175.16 9.37 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 118.728 0.695 . . . . 0.0 111.956 -166.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.8 mmm -97.23 45.14 1.04 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.66 -140.02 3.67 Favored Glycine 0 C--N 1.356 1.644 0 CA-C-O 118.332 -1.26 . . . . 0.0 111.492 -169.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.32 -40.84 54.4 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-N 118.898 1.349 . . . . 0.0 111.475 -174.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 7.3 ptpp? -163.3 169.85 18.49 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.74 -1.124 . . . . 0.0 111.671 -172.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 t -69.76 165.98 20.25 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 109.978 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' A' ' 77' ' ' LYS . 6.3 m-85 -151.09 169.39 21.96 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.737 -1.125 . . . . 0.0 109.608 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -102.76 76.81 1.53 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 173.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.23 160.63 24.23 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.401 -1.285 . . . . 0.0 109.349 -175.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 m -107.94 105.93 15.95 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.603 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.2 t -79.66 148.5 5.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -142.75 -174.51 4.18 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 36.4 ttm -134.59 154.11 51.64 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 117.052 -1.451 . . . . 0.0 108.428 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -139.9 65.77 1.41 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.324 1.42 . . . . 0.0 109.887 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.55 -119.46 5.61 Favored Glycine 0 C--N 1.357 1.707 0 CA-C-O 117.405 -1.775 . . . . 0.0 108.761 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.76 47.35 1.32 Allowed Glycine 0 C--N 1.356 1.679 0 N-CA-C 108.229 -1.949 . . . . 0.0 108.229 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -157.58 153.05 26.26 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.17 -1.395 . . . . 0.0 108.362 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 tp -114.04 156.3 24.37 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.686 -1.15 . . . . 0.0 110.88 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.2 t -133.18 144.46 36.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-O 116.529 -1.7 . . . . 0.0 110.233 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.45 159.12 3.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-N 120.877 1.671 . . . . 0.0 110.248 171.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -148.09 119.88 8.11 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.06 -0.971 . . . . 0.0 108.902 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.403 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 65.1 m-85 -98.29 162.57 21.52 Favored Pre-proline 0 C--N 1.356 0.865 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -78.69 59.42 7.24 Favored 'Trans proline' 0 C--N 1.357 0.976 0 CA-C-N 123.976 2.456 . . . . 0.0 109.848 173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -172.88 -71.62 0.01 OUTLIER 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.403 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 19.2 p90 -110.43 174.7 5.74 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 175.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -133.02 155.6 48.88 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -153.63 155.82 36.79 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.62 1.1 . . . . 0.0 109.113 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.77 105.32 5.1 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.86 164.47 26.6 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 -177.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -163.64 115.8 1.44 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.996 1.271 . . . . 0.0 111.373 -173.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.18 149.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 119.542 1.065 . . . . 0.0 108.47 174.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.49 74.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.54 -84.9 0.75 Allowed Glycine 0 C--N 1.354 1.534 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -139.41 57.54 1.64 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -170.94 126.46 0.7 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -171.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.9 tp -101.82 137.97 39.41 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 -176.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.3 168.1 19.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -145.45 173.07 12.33 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.761 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -150.4 103.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 171.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -84.49 171.96 12.09 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 -176.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 m -161.67 143.0 11.19 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 120.664 1.575 . . . . 0.0 111.173 -172.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 116' ' ' GLY . 12.4 tt -165.27 139.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 116.139 -1.886 . . . . 0.0 109.323 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 45.65 -91.29 0.01 OUTLIER Glycine 0 C--N 1.355 1.621 0 CA-C-N 120.715 1.598 . . . . 0.0 111.254 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 114' ' ' ILE . . . -147.38 43.93 0.82 Allowed Glycine 0 C--N 1.354 1.545 0 CA-C-O 118.799 -1.001 . . . . 0.0 110.824 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.4 t -141.29 151.59 19.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.9 m -130.61 168.38 17.2 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.787 -1.102 . . . . 0.0 108.239 -173.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -153.09 110.38 3.51 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.777 -1.583 . . . . 0.0 109.332 173.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -95.62 160.89 14.28 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 120.316 1.416 . . . . 0.0 110.268 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -145.9 166.66 25.34 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 117.045 -1.455 . . . . 0.0 107.761 174.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 39.8 t -136.42 78.24 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.2 m -73.87 95.59 2.47 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -59.27 169.09 1.24 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.284 -1.341 . . . . 0.0 109.279 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -108.66 87.16 2.43 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -172.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.16 -156.6 0.39 Allowed 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.184 -1.388 . . . . 0.0 107.845 -171.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.687 0 CA-C-N 120.485 1.493 . . . . 0.0 110.267 -175.539 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 118.396 -0.811 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 47.29 67.66 0.77 Allowed 'General case' 0 C--N 1.353 0.747 0 O-C-N 123.505 0.503 . . . . 0.0 110.598 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.0 m -158.26 115.8 2.93 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.278 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.81 174.93 26.23 Favored Glycine 0 C--N 1.354 1.538 0 CA-C-O 117.471 -1.738 . . . . 0.0 110.685 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -98.57 144.09 28.26 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.038 1.419 . . . . 0.0 107.65 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -137.9 171.05 15.0 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.881 -1.533 . . . . 0.0 108.65 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.33 152.37 36.96 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 120.879 1.672 . . . . 0.0 110.612 168.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -81.66 160.24 23.77 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.892 -173.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -167.21 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.519 -1.705 . . . . 0.0 112.983 -177.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.2 p -116.8 154.73 30.18 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 121.588 1.994 . . . . 0.0 108.024 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -169.48 154.32 5.6 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.703 -1.618 . . . . 0.0 110.261 -166.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.52 167.05 13.91 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 121.088 1.767 . . . . 0.0 112.742 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 62.46 42.94 8.34 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 118.791 0.723 . . . . 0.0 109.82 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.61 ' CD1' ' CE1' ' A' ' 119' ' ' TYR . 27.9 t80 -113.45 -61.48 1.73 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -160.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.41 -49.43 34.96 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 119.376 0.989 . . . . 0.0 109.271 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.87 -54.82 40.41 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.067 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -47.31 -35.92 8.61 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 121.567 1.985 . . . . 0.0 112.744 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.4 mmt -87.25 -24.54 24.34 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.105 -175.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -66.85 -38.56 86.62 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.86 -51.57 46.71 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -58.05 -47.44 83.14 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -171.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.26 68.26 0.51 Allowed Glycine 0 C--N 1.355 1.601 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.101 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 mm -126.42 157.5 36.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 CA-C-N 118.316 1.058 . . . . 0.0 109.155 -176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.4 t -71.8 153.94 41.62 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.816 0.735 . . . . 0.0 112.772 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 m -63.03 -30.27 71.47 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.066 -0.968 . . . . 0.0 113.574 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -80.77 -44.08 19.14 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 -175.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.48 -40.05 77.21 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.79 -65.9 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.85 -21.51 57.03 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-O 117.854 -1.07 . . . . 0.0 112.394 -173.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -66.54 -64.06 0.94 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-N 120.847 1.658 . . . . 0.0 106.968 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.25 . . -65.23 -7.97 15.4 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.648 -1.644 . . . . 0.0 112.183 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -59.11 -52.75 64.37 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.934 2.152 . . . . 0.0 106.954 167.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -135.19 49.54 2.19 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 123.404 0.44 . . . . 0.0 111.768 -172.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -119.14 123.41 44.31 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 173.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.51 78.29 0.79 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.29 144.67 14.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.9 t -100.28 154.81 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.96 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.9 m -141.23 154.03 45.57 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 107.472 -1.306 . . . . 0.0 107.472 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -152.38 157.58 41.47 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.04 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -142.81 153.21 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.746 0 O-C-N 124.049 0.843 . . . . 0.0 110.587 -172.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -143.94 106.94 4.49 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -74.9 86.52 2.27 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -80.05 68.87 6.31 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.01 -162.63 45.92 Favored Glycine 0 C--N 1.353 1.509 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.492 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -43.75 -35.31 1.81 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.806 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.64 121.84 26.34 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 117.519 -1.229 . . . . 0.0 109.002 175.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -94.17 161.98 14.05 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.56 80.9 1.92 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 103.52 -2.77 . . . . 0.0 103.52 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -78.86 162.64 25.92 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.398 -1.287 . . . . 0.0 107.905 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -155.58 157.62 37.08 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 119.913 1.233 . . . . 0.0 111.255 167.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -135.04 111.25 9.63 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 116.691 -1.623 . . . . 0.0 106.702 -176.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -100.41 131.54 46.28 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 120.725 1.602 . . . . 0.0 111.076 -171.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.431 ' CZ ' ' CD2' ' A' ' 57' ' ' HIS . 31.7 p90 -169.74 152.17 4.48 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.53 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 m 58.66 59.2 2.99 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.773 1.169 . . . . 0.0 111.703 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.9 -97.79 0.01 OUTLIER Glycine 0 C--N 1.355 1.615 0 CA-C-O 118.132 -1.371 . . . . 0.0 114.244 169.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.16 60.67 4.87 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-N 119.333 1.566 . . . . 0.0 111.002 -177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.431 ' CD2' ' CZ ' ' A' ' 53' ' ' TYR . 52.9 t60 -163.74 72.46 0.27 Allowed 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.9 m -88.15 96.63 10.61 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 103.869 -2.641 . . . . 0.0 103.869 169.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.3 ttp -70.22 153.45 43.08 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -136.78 154.27 50.6 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.73 1.605 . . . . 0.0 111.917 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -135.46 73.01 1.45 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -76.44 156.5 33.04 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.706 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -168.48 171.65 8.84 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.667 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -129.68 129.28 44.05 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.07 146.18 6.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -167.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.81 7.9 59.72 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-O 115.897 -2.613 . . . . 0.0 111.838 -174.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -137.81 2.51 2.4 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 121.396 2.598 . . . . 0.0 116.871 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 61.93 138.23 0.01 OUTLIER 'General case' 0 C--N 1.35 0.622 0 CA-C-N 120.846 1.657 . . . . 0.0 114.522 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 m -164.36 163.66 22.37 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.265 -1.35 . . . . 0.0 108.247 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -73.63 140.84 46.42 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.162 1.346 . . . . 0.0 108.4 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.8 mt -137.77 146.5 27.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 CA-C-O 117.105 -1.426 . . . . 0.0 108.016 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -111.1 59.09 0.61 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.447 1.021 . . . . 0.0 109.981 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.3 t -52.59 170.15 0.07 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.521 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 mmt -59.83 149.1 32.28 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.46 -178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 141.07 -175.41 22.23 Favored Glycine 0 C--N 1.354 1.581 0 N-CA-C 108.909 -1.676 . . . . 0.0 108.909 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.24 -20.27 59.22 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-O 117.25 -1.861 . . . . 0.0 113.938 -177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.507 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 52.9 mtpt -140.37 174.84 10.12 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.099 1.949 . . . . 0.0 111.415 -172.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.2 m -76.98 154.66 33.31 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 77' ' ' LYS . 65.0 m-85 -131.19 -174.58 3.43 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.382 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -136.15 147.42 47.72 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.138 -0.934 . . . . 0.0 108.751 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.88 162.89 29.44 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.113 -1.423 . . . . 0.0 109.633 -173.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.2 m -105.57 99.84 9.43 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.358 0.981 . . . . 0.0 108.811 -177.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.52 146.0 10.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -140.46 -179.36 5.97 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -135.27 171.85 13.85 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -156.02 65.22 0.58 Allowed 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.719 -0.793 . . . . 0.0 111.003 170.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.08 -105.44 3.13 Favored Glycine 0 C--N 1.356 1.667 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.3 43.23 1.73 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 107.735 -2.146 . . . . 0.0 107.735 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.25 151.64 32.12 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.2 tp -122.28 152.46 40.05 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.985 -165.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.0 t -139.36 147.57 24.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 CA-C-O 116.804 -1.57 . . . . 0.0 110.484 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.28 159.17 2.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 120.736 1.607 . . . . 0.0 110.422 170.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -148.27 138.91 22.9 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.745 -1.121 . . . . 0.0 108.853 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . 0.251 13.4 m-85 -119.04 165.27 17.45 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-O 116.261 -1.828 . . . . 0.0 106.561 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.49 64.57 7.33 Favored 'Trans proline' 0 C--N 1.357 0.978 0 CA-C-N 123.15 2.161 . . . . 0.0 108.192 166.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -178.88 -81.89 0.0 OUTLIER 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.78 -1.105 . . . . 0.0 108.106 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.07 -173.9 2.35 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.196 0.907 . . . . 0.0 109.318 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -138.01 159.46 41.95 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.09 150.07 26.8 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.761 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.95 108.9 4.4 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -91.89 161.42 14.84 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 120.351 1.432 . . . . 0.0 108.519 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.46 120.95 8.51 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.83 -1.081 . . . . 0.0 109.325 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -85.94 148.31 4.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.28 75.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.49 -81.29 0.61 Allowed Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -138.59 61.18 1.59 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -170.28 137.84 1.53 Allowed 'General case' 0 C--N 1.351 0.665 0 CA-C-O 116.902 -1.523 . . . . 0.0 107.358 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.5 tp -112.66 137.13 51.39 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.48 173.52 14.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 CA-C-N 120.22 1.373 . . . . 0.0 108.4 173.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -149.05 154.97 40.06 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 116.923 -1.513 . . . . 0.0 110.846 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 68.9 t -139.47 109.22 3.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.0 p -82.13 174.84 10.83 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.955 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.6 m -161.94 155.65 21.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.354 -1.307 . . . . 0.0 110.32 169.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -153.63 -52.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.945 0 CA-C-N 119.931 1.241 . . . . 0.0 113.55 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.3 70.87 0.2 Allowed Glycine 0 C--N 1.353 1.527 0 CA-C-N 120.642 1.565 . . . . 0.0 109.704 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.57 25.18 73.05 Favored Glycine 0 C--N 1.353 1.514 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.957 -174.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.7 t -147.27 149.21 15.81 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.3 m -137.36 164.72 27.92 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.25 -1.357 . . . . 0.0 107.625 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.61 ' CE1' ' CD1' ' A' ' 14' ' ' TYR . 25.9 t80 -142.32 118.31 10.62 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 115.992 -1.956 . . . . 0.0 106.738 169.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -121.96 160.89 23.91 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.761 1.619 . . . . 0.0 110.167 -175.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -163.87 154.57 15.66 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 116.886 -1.53 . . . . 0.0 108.942 -167.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.0 t -131.5 90.18 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -166.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.4 m -84.33 104.01 14.0 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.926 -1.035 . . . . 0.0 108.376 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -67.73 167.35 13.46 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.454 1.479 . . . . 0.0 111.14 -176.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.9 91.62 3.9 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -173.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.75 -157.6 0.14 Allowed 'General case' 0 C--N 1.351 0.644 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -173.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.702 0 CA-C-N 120.781 1.628 . . . . 0.0 111.067 -179.76 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 CA--C 1.51 -0.593 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.0 m -158.79 113.36 2.48 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-O 117.607 -1.187 . . . . 0.0 108.433 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.74 177.36 27.99 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 118.011 -1.438 . . . . 0.0 111.34 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -88.88 147.62 24.28 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 118.567 1.183 . . . . 0.0 107.956 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -145.24 173.05 12.29 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 116.872 -1.537 . . . . 0.0 109.131 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -156.87 141.47 16.79 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.757 1.617 . . . . 0.0 110.87 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttp -68.93 105.46 2.39 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.083 -1.437 . . . . 0.0 108.567 -173.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -81.89 -37.79 26.33 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 120.955 1.707 . . . . 0.0 110.47 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 m -155.2 173.47 16.57 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.43 1.014 . . . . 0.0 111.358 -171.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -142.02 172.8 12.19 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 118.129 -0.938 . . . . 0.0 111.1 -175.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -118.48 -74.73 0.6 Allowed 'General case' 0 C--N 1.359 0.996 0 CA-C-O 117.197 -1.382 . . . . 0.0 109.923 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -108.98 20.58 18.26 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 120.479 1.491 . . . . 0.0 112.203 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -44.75 -44.68 9.46 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -57.06 -54.33 47.98 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 119.761 -0.776 . . . . 0.0 111.226 -173.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -69.33 -51.24 38.94 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.056 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -44.16 -39.57 4.42 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 119.209 0.913 . . . . 0.0 111.677 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -49.12 65.58 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.295 0.0 OUTLIER -56.16 -25.68 47.48 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.732 -1.127 . . . . 0.0 110.946 -175.607 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -76.49 -50.52 13.8 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 119.99 1.268 . . . . 0.0 109.207 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.84 -46.96 74.7 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.412 1.46 . . . . 0.0 108.922 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.69 64.13 0.76 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.2 mm -103.36 157.09 5.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 t -71.1 141.18 50.82 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.831 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -54.18 -30.33 49.12 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -77.52 -45.12 26.44 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.32 -36.48 74.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 CA-C-O 117.869 -1.063 . . . . 0.0 108.632 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.4 mt -56.95 -58.01 7.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -58.22 -25.84 62.13 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.513 -1.232 . . . . 0.0 112.404 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -66.31 -68.13 0.39 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 121.066 1.757 . . . . 0.0 109.809 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.69 -38.89 22.6 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.293 0.951 . . . . 0.0 111.255 -170.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -30.63 60.49 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.701 -176.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -101.96 33.42 3.05 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.437 1.017 . . . . 0.0 110.325 171.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -151.46 145.05 24.94 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.694 1.134 . . . . 0.0 111.026 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -89.63 87.26 6.95 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.01 127.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 104.829 -2.286 . . . . 0.0 104.829 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.8 t -86.89 151.81 3.54 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.9 m -140.74 117.83 11.23 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 117.225 -1.369 . . . . 0.0 108.231 -173.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -108.17 157.97 17.84 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.6 t -143.74 149.54 17.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 CA-C-O 117.562 -1.209 . . . . 0.0 109.49 174.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -143.88 88.66 1.99 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.22 89.2 0.19 Allowed 'General case' 0 C--N 1.351 0.65 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -91.86 70.32 5.58 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.4 -159.5 46.7 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.03 -1.081 . . . . 0.0 111.07 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -50.03 -33.55 18.54 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.138 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.72 146.15 30.14 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 120.005 1.275 . . . . 0.0 108.653 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.86 160.2 23.92 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.2 76.85 1.64 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 103.841 -2.651 . . . . 0.0 103.841 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -77.94 155.96 30.54 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 116.729 -1.605 . . . . 0.0 106.759 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -149.89 158.97 44.69 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 119.824 1.193 . . . . 0.0 110.462 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -136.23 81.19 1.87 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 . . . . . 0 CA--C 1.503 -0.828 0 CA-C-O 117.532 -1.223 . . . . 0.0 109.535 -171.141 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 57' ' ' HIS . 6.9 t60 . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 118.15 -0.929 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.426 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 87.2 m -134.57 109.08 8.44 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.572 -1.204 . . . . 0.0 107.828 171.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.1 ttp -85.85 153.82 21.98 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 172.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -135.54 153.03 51.84 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.842 1.656 . . . . 0.0 111.581 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -131.48 71.54 1.48 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -73.33 142.67 47.08 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -160.41 168.91 24.16 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.035 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -124.65 137.24 54.38 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.38 152.75 3.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -170.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.34 24.09 63.14 Favored Glycine 0 C--N 1.351 1.381 0 CA-C-O 117.682 -1.621 . . . . 0.0 109.462 -172.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -145.01 -61.02 0.36 Allowed 'General case' 0 C--N 1.359 0.982 0 CA-C-N 119.158 1.479 . . . . 0.0 110.272 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.282 6.6 pt-20 112.8 154.61 0.0 OUTLIER 'General case' 0 C--N 1.357 0.908 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.4 m -162.95 167.33 22.74 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 117.228 -1.368 . . . . 0.0 108.843 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -74.64 140.91 44.6 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 171.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.9 mt -136.31 140.44 43.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 120.113 1.324 . . . . 0.0 108.133 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -74.84 -39.63 61.49 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.337 0.971 . . . . 0.0 111.509 -168.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.7 p . . . . . 0 C--N 1.351 0.646 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 171.155 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--O 1.219 -0.537 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -115.74 141.58 47.9 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 171.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -154.8 150.94 28.06 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.048 -1.453 . . . . 0.0 110.48 -169.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.9 m -92.97 102.55 14.9 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.278 0.945 . . . . 0.0 109.0 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.81 145.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -140.96 175.37 9.67 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 174.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.7 mtp -129.15 172.76 11.11 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -133.65 -64.33 0.72 Allowed 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.065 0.853 . . . . 0.0 109.206 170.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.37 -74.6 0.02 OUTLIER Glycine 0 C--N 1.351 1.416 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.54 38.6 3.21 Favored Glycine 0 C--N 1.356 1.662 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -163.92 177.63 8.4 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.412 1.106 . . . . 0.0 110.11 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.1 tp -138.19 160.19 40.07 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 117.632 -1.175 . . . . 0.0 109.172 -172.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.6 t -141.7 145.3 24.56 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-O 116.617 -1.659 . . . . 0.0 110.472 -171.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.1 p -155.67 156.8 4.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 120.502 1.501 . . . . 0.0 110.219 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -149.32 118.45 6.77 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.486 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 10.0 m-85 -108.11 158.56 33.33 Favored Pre-proline 0 C--N 1.356 0.88 0 CA-C-O 115.755 -2.069 . . . . 0.0 106.256 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.04 67.49 5.95 Favored 'Trans proline' 0 C--N 1.358 1.04 0 CA-C-N 123.814 2.398 . . . . 0.0 108.349 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -174.88 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.7 -0.667 . . . . 0.0 109.808 -171.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.486 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 19.8 p90 -151.72 -176.53 5.66 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.412 ' CE1' HG23 ' A' ' 100' ' ' THR . 1.7 t-80 -133.86 154.13 51.26 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 120.152 1.342 . . . . 0.0 107.867 176.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -156.99 152.18 26.29 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.243 0.929 . . . . 0.0 109.676 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.412 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.8 OUTLIER -143.23 121.86 12.54 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.8 m -95.75 163.01 13.36 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-N 121.173 1.806 . . . . 0.0 108.982 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -157.54 98.45 1.67 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-N 119.136 0.88 . . . . 0.0 109.536 -171.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mm -72.56 149.27 8.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.582 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.5 t -133.91 80.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.08 -83.44 0.17 Allowed Glycine 0 C--N 1.354 1.536 0 CA-C-O 118.794 -1.003 . . . . 0.0 110.725 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -134.05 60.79 1.69 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -169.09 138.12 2.08 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 -178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.39 129.3 55.79 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.14 158.84 30.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -143.79 161.67 38.02 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.317 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.0 p -147.36 104.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -92.72 171.98 8.64 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 117.239 -1.362 . . . . 0.0 108.144 -172.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.6 m -165.14 150.23 9.3 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-N 120.84 1.654 . . . . 0.0 111.324 -171.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 17.1 tt -160.49 -50.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 120.293 1.406 . . . . 0.0 113.695 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -162.05 74.96 0.19 Allowed Glycine 0 C--N 1.356 1.657 0 CA-C-N 121.261 1.846 . . . . 0.0 110.906 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.64 20.93 79.86 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-O 117.885 -1.509 . . . . 0.0 111.382 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 71.7 t -144.78 152.42 15.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.1 m -152.07 131.08 12.59 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.584 -1.674 . . . . 0.0 108.235 -176.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.09 96.74 6.21 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 119.84 1.2 . . . . 0.0 110.111 -173.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.68 153.39 35.18 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.722 -1.133 . . . . 0.0 111.15 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -144.49 175.9 9.78 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 116.98 -1.486 . . . . 0.0 107.982 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.27 78.98 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.723 0 CA-C-N 119.919 1.236 . . . . 0.0 107.922 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.9 m -72.98 98.18 2.45 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -67.72 169.83 8.89 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.289 -1.815 . . . . 0.0 110.145 -175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -105.92 90.45 3.39 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -173.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.64 -153.95 0.19 Allowed 'General case' 0 C--N 1.35 0.625 0 CA-C-O 117.072 -1.442 . . . . 0.0 107.529 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.629 0 CA-C-N 120.791 1.632 . . . . 0.0 110.256 -175.469 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 CA--C 1.508 -0.648 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.6 m -156.12 113.53 3.24 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.96 -155.95 27.55 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 119.881 -1.152 . . . . 0.0 111.092 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.41 155.5 42.07 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 174.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' THR . 25.4 m-85 -154.92 166.24 34.16 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 116.358 -1.782 . . . . 0.0 110.972 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -145.0 150.58 37.16 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.395 1.907 . . . . 0.0 110.733 167.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.2 ttm -101.65 146.27 27.94 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 116.905 -1.521 . . . . 0.0 109.439 -168.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -160.29 -48.81 0.05 OUTLIER 'General case' 0 C--N 1.357 0.901 0 CA-C-O 117.04 -1.457 . . . . 0.0 114.054 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -69.68 -60.02 2.58 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 122.181 2.264 . . . . 0.0 109.888 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 59.66 173.8 0.08 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.545 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -143.83 -89.03 0.12 Allowed 'General case' 0 C--N 1.358 0.958 0 CA-C-O 117.192 -1.385 . . . . 0.0 110.328 -177.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.84 -17.38 41.14 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.398 1.908 . . . . 0.0 111.544 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.444 ' OH ' ' HB3' ' A' ' 31' ' ' ALA . 67.1 t80 2.45 -63.25 0.0 OUTLIER 'General case' 0 C--N 1.354 0.792 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 171.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -53.14 -55.32 24.97 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 119.96 1.255 . . . . 0.0 110.961 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.22 -51.23 64.71 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.032 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -44.91 -38.51 4.7 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 118.607 -1.237 . . . . 0.0 113.266 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.4 mmt -75.11 -37.56 61.45 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 117.896 -1.05 . . . . 0.0 108.401 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -53.37 -36.59 61.57 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.726 1.148 . . . . 0.0 110.276 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -79.39 -39.96 31.27 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.209 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.78 -40.24 66.09 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 171.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.65 57.41 0.74 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mm -105.54 154.88 6.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.8 p -80.9 150.26 29.11 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 120.123 1.328 . . . . 0.0 111.74 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.9 p -62.61 -37.95 88.27 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 118.901 0.773 . . . . 0.0 111.656 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.52 -32.38 73.3 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.713 -1.137 . . . . 0.0 111.164 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 m -90.61 -31.05 4.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.157 -1.401 . . . . 0.0 110.742 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.3 mt -54.38 -62.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-N 121.132 1.787 . . . . 0.0 106.824 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -46.97 -40.33 14.18 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.15 0.886 . . . . 0.0 111.368 -175.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -68.8 -52.12 33.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.201 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB3' ' OH ' ' A' ' 14' ' ' TYR . . . -46.58 -34.14 4.7 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-O 116.927 -1.511 . . . . 0.0 112.377 -175.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -33.47 13.47 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.274 1.397 . . . . 0.0 111.418 177.012 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -59.26 -53.61 56.35 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.9 1.682 . . . . 0.0 107.823 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -82.51 156.29 24.1 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -91.94 99.77 12.55 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -172.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -58.86 133.42 24.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -91.02 151.61 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' PHE . 5.6 m -134.66 134.73 41.47 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' CD ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -133.34 160.76 36.4 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 174.34 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 t -144.32 144.97 22.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 CA-C-O 117.825 -1.083 . . . . 0.0 110.138 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -139.46 85.96 2.09 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -62.5 149.82 41.87 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -146.55 69.04 1.18 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -172.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.78 -159.6 53.24 Favored Glycine 0 C--N 1.352 1.438 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -173.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -48.01 -35.11 10.42 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.058 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.33 146.49 36.72 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 119.765 1.166 . . . . 0.0 110.783 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -121.84 162.45 20.91 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.39 72.91 1.45 Allowed 'General case' 0 C--N 1.357 0.919 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -80.82 162.26 24.1 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 117.625 -1.179 . . . . 0.0 108.275 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -152.55 156.05 38.6 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.746 1.157 . . . . 0.0 110.831 165.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -129.69 95.99 4.13 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 . . . . . 0 C--N 1.356 0.865 0 CA-C-O 116.921 -1.514 . . . . 0.0 108.019 -173.306 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.8 t60 . . . . . 0 CA--C 1.511 -0.543 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.4 m -77.07 95.99 4.33 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.65 158.38 29.76 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.53 153.55 43.69 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 121.029 1.741 . . . . 0.0 112.339 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -127.38 69.75 1.3 Allowed 'General case' 0 C--N 1.359 1.011 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -77.48 148.16 35.51 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -169.37 168.92 9.32 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.542 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -128.89 129.96 46.2 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.82 148.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -166.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.27 16.96 55.25 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-O 116.101 -2.499 . . . . 0.0 111.647 -172.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -144.45 14.29 1.6 Allowed 'General case' 0 C--N 1.361 1.09 0 CA-C-N 121.458 2.629 . . . . 0.0 116.627 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 59.88 140.76 0.01 OUTLIER 'General case' 0 C--N 1.351 0.656 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 m -168.0 156.95 9.38 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.33 -1.319 . . . . 0.0 109.043 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -78.64 143.85 35.98 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.6 mt -138.71 144.2 30.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-O 117.604 -1.188 . . . . 0.0 108.725 -175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -83.56 -32.69 25.68 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.656 1.117 . . . . 0.0 111.646 -173.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.7 p . . . . . 0 CA--C 1.505 -0.766 0 O-C-N 123.727 0.642 . . . . 0.0 111.275 168.523 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -107.61 150.91 26.32 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.677 -1.154 . . . . 0.0 107.913 172.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -158.27 170.91 21.2 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.42 -1.276 . . . . 0.0 111.36 -171.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 m -112.08 100.85 9.18 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.79 145.03 12.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 105.971 -1.862 . . . . 0.0 105.971 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -136.42 -178.08 5.0 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 171.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -129.24 170.81 13.12 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -150.61 57.94 0.93 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.347 170.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.62 -103.59 3.05 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 117.609 -1.662 . . . . 0.0 109.739 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.53 42.15 1.98 Allowed Glycine 0 C--N 1.356 1.645 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -161.47 155.75 22.6 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.094 -0.955 . . . . 0.0 108.765 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.1 tp -117.64 152.19 35.7 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.214 -171.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.3 t -133.58 145.81 32.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.016 -1.468 . . . . 0.0 109.934 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.2 p -155.35 157.7 3.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 120.45 1.477 . . . . 0.0 110.126 170.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -147.48 125.19 11.83 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 34.1 m-85 -111.04 161.02 26.78 Favored Pre-proline 0 C--N 1.354 0.784 0 CA-C-O 115.793 -2.051 . . . . 0.0 106.189 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -78.57 61.39 7.93 Favored 'Trans proline' 0 C--N 1.358 1.064 0 CA-C-N 124.212 2.54 . . . . 0.0 109.273 173.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -170.23 -66.45 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -174.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.557 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 5.3 p90 -127.06 -174.58 3.19 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.36 155.85 45.89 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.71 157.05 34.44 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.962 1.255 . . . . 0.0 109.881 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 p -145.86 103.58 3.78 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.3 m -81.31 163.46 22.9 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -159.14 112.95 2.34 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.697 -1.144 . . . . 0.0 109.888 -169.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -81.27 149.01 5.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 119.682 1.128 . . . . 0.0 108.445 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.41 76.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.63 -85.74 0.75 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -136.92 58.11 1.74 Allowed 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -169.14 138.05 2.05 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 116.894 -1.526 . . . . 0.0 107.141 -172.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.2 tp -104.61 134.64 47.44 Favored 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 m -135.99 160.87 38.67 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 175.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -149.5 171.33 16.78 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.761 -1.114 . . . . 0.0 109.836 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.3 110.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.0 p -80.62 -179.52 7.26 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.077 -177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.7 m -165.08 148.48 8.44 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.194 -1.384 . . . . 0.0 111.151 171.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -156.15 67.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.868 0 CA-C-N 119.939 1.245 . . . . 0.0 110.595 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 55.53 29.31 53.47 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-O 117.779 -1.567 . . . . 0.0 113.198 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.67 -54.0 0.38 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.8 1.8 . . . . 0.0 111.57 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.88 155.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.1 m -145.32 145.11 31.09 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 115.81 -2.043 . . . . 0.0 106.501 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -132.66 105.81 7.41 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.626 1.557 . . . . 0.0 109.511 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -88.77 162.25 16.33 Favored 'General case' 0 C--N 1.361 1.099 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.342 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -160.0 173.67 15.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 117.648 -1.168 . . . . 0.0 109.422 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.82 81.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 -174.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.1 m -78.25 108.53 11.65 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -71.37 170.0 14.11 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 120.383 1.447 . . . . 0.0 110.113 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -105.22 83.02 1.91 Allowed 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.187 0.93 . . . . 0.0 108.566 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.61 -156.21 0.35 Allowed 'General case' 0 C--N 1.35 0.59 0 CA-C-O 116.539 -1.696 . . . . 0.0 106.731 -174.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.695 0 CA-C-N 120.971 1.714 . . . . 0.0 109.803 179.653 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 m -158.1 116.43 3.07 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.524 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.83 -173.49 35.14 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-N 120.509 1.504 . . . . 0.0 111.954 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -110.73 143.03 41.86 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -147.58 169.06 20.42 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.394 -1.289 . . . . 0.0 110.804 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.24 144.98 21.4 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.045 1.293 . . . . 0.0 110.704 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mtt -70.96 85.38 0.7 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 119.082 0.855 . . . . 0.0 109.687 -172.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -53.75 -46.65 70.95 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.434 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.5 t -146.57 160.77 41.72 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.256 -0.878 . . . . 0.0 109.996 -174.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -131.25 163.78 27.03 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.365 -1.302 . . . . 0.0 109.208 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -119.39 -59.91 1.78 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.983 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -123.28 43.58 2.91 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.507 1.049 . . . . 0.0 109.365 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 1.1 t80 -67.72 -47.14 70.2 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.492 -0.766 . . . . 0.0 112.975 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -62.4 -66.04 0.6 Allowed 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.749 1.159 . . . . 0.0 111.144 -169.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.21 -39.6 60.41 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.634 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -53.06 -48.52 67.63 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.948 1.249 . . . . 0.0 111.424 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -42.31 95.75 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -58.0 -40.96 82.03 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.271 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.57 -50.72 9.62 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.507 1.048 . . . . 0.0 108.755 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.0 tp -41.96 -40.86 2.32 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.945 -0.55 . . . . 0.0 109.942 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.4 65.65 0.64 Allowed Glycine 0 C--N 1.355 1.588 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 171.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.7 mm -121.96 159.81 24.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.992 -1.004 . . . . 0.0 108.695 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -83.69 132.06 34.89 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.711 -1.137 . . . . 0.0 112.518 -171.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.9 p -47.32 -36.11 8.93 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.497 1.044 . . . . 0.0 112.651 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -57.59 -51.93 67.5 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.197 0.908 . . . . 0.0 109.294 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -78.08 -26.33 14.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 117.488 -1.244 . . . . 0.0 110.657 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.04 -54.61 31.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -58.08 -34.48 70.18 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.401 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 34' ' ' PHE . 51.7 mtmt -70.81 -67.41 0.51 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 177.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.67 -29.51 0.3 Allowed 'General case' 0 C--N 1.349 0.554 0 CA-C-N 119.843 1.201 . . . . 0.0 112.865 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -69.81 -61.81 1.63 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 119.826 1.194 . . . . 0.0 109.387 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -76.32 -49.97 15.51 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -174.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LYS . 84.0 t80 -53.86 114.4 1.56 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 175.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -76.94 138.0 39.41 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.1 mt -101.17 147.89 7.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.9 t -104.22 156.06 5.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 m -136.14 131.1 34.27 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 117.53 -1.224 . . . . 0.0 108.389 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -124.5 148.51 47.68 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.69 142.03 29.04 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.405 -1.283 . . . . 0.0 109.868 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -139.19 81.6 1.85 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 171.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.48 146.02 52.69 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.493 -1.241 . . . . 0.0 109.578 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -113.16 -61.31 1.76 Allowed 'General case' 0 C--N 1.358 0.972 0 CA-C-N 119.131 0.878 . . . . 0.0 111.202 -173.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.88 69.47 0.04 OUTLIER Glycine 0 C--N 1.355 1.597 0 CA-C-N 119.773 1.17 . . . . 0.0 110.713 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 96.09 -50.78 0.01 OUTLIER 'General case' 0 C--N 1.352 0.693 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 -170.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -77.69 152.92 33.49 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 170.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 9.7 m-85 -128.07 163.45 24.56 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -134.27 65.25 1.58 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -69.01 164.47 22.29 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.8 m -155.33 159.22 39.79 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.547 164.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -152.0 144.28 24.0 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 116.946 -1.502 . . . . 0.0 107.803 173.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 C--N 1.358 0.942 0 CA-C-O 117.332 -1.318 . . . . 0.0 111.714 -161.412 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.6 t60 . . . . . 0 CA--C 1.51 -0.588 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.7 m -93.03 105.25 17.38 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 169.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 ttp -79.98 158.51 26.55 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 172.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.06 154.26 49.28 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 117.511 -1.233 . . . . 0.0 110.195 172.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -134.81 72.27 1.45 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -70.96 150.28 45.84 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 171.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 14.0 p90 -165.68 164.34 19.02 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.129 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.6 m -119.3 134.02 55.43 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.5 m -91.73 145.89 6.96 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 -171.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.34 19.57 76.12 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 117.205 -1.886 . . . . 0.0 109.826 -172.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -141.71 -64.3 0.44 Allowed 'General case' 0 C--N 1.36 1.033 0 CA-C-N 119.826 1.813 . . . . 0.0 110.697 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.259 8.5 pt-20 118.74 157.73 0.0 OUTLIER 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.886 1.274 . . . . 0.0 108.506 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.9 m -156.57 165.44 36.28 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.602 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -77.55 85.41 3.91 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.5 mt -84.98 133.36 29.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 -173.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -86.5 -19.03 30.13 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 116.573 -1.679 . . . . 0.0 112.519 -171.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.7 p . . . . . 0 C--N 1.353 0.738 0 CA-C-N 121.112 1.778 . . . . 0.0 112.686 169.246 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -108.62 139.16 43.79 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.64 143.9 20.09 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 116.873 -1.537 . . . . 0.0 110.684 -163.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -94.89 107.45 19.48 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.474 -1.251 . . . . 0.0 111.26 -172.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.5 t -82.73 146.34 7.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 175.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -141.77 -171.53 3.36 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.1 ttm -143.93 149.29 36.6 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.316 -174.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -128.77 76.13 1.69 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 171.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.06 -111.65 4.32 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 117.6 -1.666 . . . . 0.0 109.742 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.87 36.46 3.88 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-N 119.468 1.634 . . . . 0.0 110.931 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -144.75 152.79 40.91 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.727 -1.606 . . . . 0.0 107.336 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tp -117.68 152.01 36.09 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.34 1.427 . . . . 0.0 110.566 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.1 t -130.44 145.66 35.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 CA-C-O 116.741 -1.599 . . . . 0.0 110.105 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -154.65 157.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.518 1.508 . . . . 0.0 110.208 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -142.97 128.85 19.45 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.856 -1.068 . . . . 0.0 108.321 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -104.06 160.86 24.71 Favored Pre-proline 0 C--N 1.354 0.792 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -76.49 55.13 4.61 Favored 'Trans proline' 0 C--N 1.355 0.896 0 CA-C-N 124.169 2.525 . . . . 0.0 110.619 173.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -168.49 -71.98 0.02 OUTLIER 'General case' 0 C--N 1.356 0.89 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -174.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -111.1 178.33 4.38 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.401 ' CE1' HG23 ' A' ' 100' ' ' THR . 0.7 OUTLIER -135.57 156.91 48.12 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 176.183 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -153.99 153.5 32.09 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.706 1.139 . . . . 0.0 109.329 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.401 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.6 OUTLIER -139.01 103.36 4.76 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 178.685 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.3 m -77.31 164.0 25.94 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -158.03 129.98 6.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.07 -1.443 . . . . 0.0 111.517 -174.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.11 147.83 7.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 119.838 1.199 . . . . 0.0 108.075 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.7 t -139.64 77.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.25 -79.65 0.89 Allowed Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.03 58.89 1.63 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -169.4 143.7 2.9 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 116.703 -1.617 . . . . 0.0 108.163 -174.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.5 tp -111.42 137.83 48.7 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 104.077 -2.564 . . . . 0.0 104.077 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.27 150.29 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -138.63 165.25 27.39 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.265 -1.35 . . . . 0.0 108.446 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -148.11 98.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.36 175.91 8.68 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.812 -1.089 . . . . 0.0 108.081 -176.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.4 m -164.76 144.93 7.42 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-O 116.361 -1.78 . . . . 0.0 111.267 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.7 tt -155.96 65.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-N 121.028 1.74 . . . . 0.0 110.957 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 48.9 44.8 31.93 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-O 118.598 -1.112 . . . . 0.0 112.358 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 154.13 -45.34 0.56 Allowed Glycine 0 C--N 1.354 1.549 0 CA-C-O 118.491 -1.172 . . . . 0.0 112.365 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.5 t -119.33 158.23 20.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.18 -174.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.4 m -130.93 171.41 13.22 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.418 -1.277 . . . . 0.0 108.132 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -144.25 91.74 2.24 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.096 1.316 . . . . 0.0 108.422 167.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -83.2 151.89 25.47 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-O 118.026 -0.988 . . . . 0.0 111.102 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.57 169.18 23.29 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-O 118.161 -0.923 . . . . 0.0 108.731 -174.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.14 79.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.4 m -70.36 89.43 0.67 Allowed 'General case' 0 C--N 1.353 0.742 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -69.44 171.84 8.11 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 115.756 -2.068 . . . . 0.0 108.568 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.417 ' CZ ' ' O ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -107.65 105.52 15.43 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.47 1.941 . . . . 0.0 106.449 -173.173 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -175.12 -155.4 0.05 Allowed 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.669 -1.634 . . . . 0.0 106.814 -169.333 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.686 0 CA-C-N 121.085 1.766 . . . . 0.0 110.752 176.37 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 CA--C 1.511 -0.534 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.1 m -164.95 115.53 1.14 Allowed 'General case' 0 C--N 1.349 0.587 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.45 172.54 24.76 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 120.079 1.309 . . . . 0.0 111.101 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 6' ' ' PHE . 15.4 ptmt -88.31 159.73 17.95 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 55.0 m-85 -160.68 170.9 19.86 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 116.775 -1.584 . . . . 0.0 110.931 177.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -153.35 147.57 25.75 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.937 1.699 . . . . 0.0 111.676 167.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 ttp -64.18 145.67 55.57 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.03 -60.96 0.16 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.034 1.288 . . . . 0.0 109.705 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 m -86.35 161.66 18.59 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 171.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -170.5 146.52 2.79 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 116.825 -1.56 . . . . 0.0 106.819 -172.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -159.93 158.77 31.37 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.99 1.723 . . . . 0.0 111.109 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 49.48 27.02 1.87 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.847 1.203 . . . . 0.0 112.229 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -42.15 11.46 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 118.574 0.625 . . . . 0.0 110.406 -173.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -52.77 -56.16 17.65 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.775 0.716 . . . . 0.0 110.3 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.42 -49.13 76.7 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.029 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -46.15 -38.57 8.38 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 119.923 1.238 . . . . 0.0 111.404 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 41.8 mtt -78.5 -34.86 47.15 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.78 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -64.14 -38.83 92.46 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.728 1.149 . . . . 0.0 108.766 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.3 -50.52 53.01 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.553 1.069 . . . . 0.0 108.356 175.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 tp -53.92 -40.1 66.43 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.944 -173.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.97 73.77 0.83 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.7 mm -133.8 158.97 42.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 117.741 -1.123 . . . . 0.0 108.942 -173.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 t -91.21 140.64 29.61 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 119.3 0.955 . . . . 0.0 111.656 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.7 p -51.7 -36.33 46.25 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -170.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -61.09 -47.5 86.04 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.003 1.274 . . . . 0.0 108.965 -176.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -75.77 -22.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 CA-C-O 117.266 -1.35 . . . . 0.0 111.178 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.65 -57.89 9.79 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 121.195 1.816 . . . . 0.0 106.44 171.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -56.94 -33.19 66.76 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.491 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -66.34 -51.87 52.87 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.2 -44.4 0.86 Allowed 'General case' 0 C--N 1.355 0.836 0 O-C-N 123.224 0.327 . . . . 0.0 111.804 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -67.95 -48.39 66.01 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.981 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -92.11 47.43 1.33 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.029 0.831 . . . . 0.0 110.015 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -152.19 116.6 5.01 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.609 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -87.86 75.06 8.93 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 mm -44.89 128.67 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-O 116.843 -1.551 . . . . 0.0 107.12 176.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.1 t -85.53 154.14 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.919 0 N-CA-C 105.512 -2.033 . . . . 0.0 105.512 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 m -142.88 136.72 28.94 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -136.42 145.65 45.52 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t -139.51 147.39 24.27 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.662 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -144.62 93.71 2.45 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -63.7 147.7 50.97 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -143.96 66.59 1.28 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -170.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.88 -159.12 53.36 Favored Glycine 0 C--N 1.352 1.444 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 -172.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -49.75 -34.64 19.72 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.773 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.92 151.25 33.85 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.899 1.227 . . . . 0.0 110.838 174.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -127.52 164.49 21.84 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.62 83.72 2.0 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 172.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 -84.19 166.81 17.26 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.726 -1.13 . . . . 0.0 109.06 -174.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 m -153.18 153.63 33.12 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.86 166.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -133.38 84.95 2.17 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 . . . . . 0 C--N 1.356 0.886 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.309 -168.188 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.507 -0.68 0 N-CA-C 105.167 -2.16 . . . . 0.0 105.167 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 m -80.46 103.61 10.44 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 172.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 ttp -82.23 150.97 27.05 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.19 150.52 35.07 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 121.371 1.896 . . . . 0.0 112.894 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -132.11 75.26 1.63 Allowed 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.127 0.892 . . . . 0.0 108.968 -175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -74.5 149.68 40.17 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -167.13 169.35 12.81 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.129 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -128.94 132.77 47.66 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.42 147.66 5.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -165.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.41 10.15 56.67 Favored Glycine 0 C--N 1.351 1.398 0 CA-C-O 116.195 -2.447 . . . . 0.0 111.562 -172.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -137.36 1.11 2.37 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 120.992 2.396 . . . . 0.0 116.112 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 63.28 138.49 0.02 OUTLIER 'General case' 0 C--N 1.351 0.646 0 CA-C-N 120.823 1.647 . . . . 0.0 114.29 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.4 m -165.12 157.06 15.29 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.142 -1.409 . . . . 0.0 108.347 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -75.2 144.1 42.84 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.286 1.403 . . . . 0.0 108.04 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -139.93 144.96 27.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.168 -1.396 . . . . 0.0 107.366 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -89.37 -32.84 17.11 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.217 -1.373 . . . . 0.0 111.457 -172.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.503 -0.837 0 CA-C-N 119.593 1.088 . . . . 0.0 110.721 172.463 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 CA--C 1.509 -0.609 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -134.08 148.32 51.01 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -156.36 162.92 40.02 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 117.163 -1.398 . . . . 0.0 110.324 -172.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.2 m -101.47 96.65 7.28 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.22 144.38 13.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 105.442 -2.058 . . . . 0.0 105.442 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -139.73 176.7 8.51 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 173.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.1 mtp -132.14 170.7 14.63 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -160.53 70.77 0.42 Allowed 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.114 0.884 . . . . 0.0 111.008 169.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.08 -110.24 3.8 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-O 117.464 -1.742 . . . . 0.0 108.877 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.74 42.03 2.04 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 108.624 -1.791 . . . . 0.0 108.624 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.34 152.55 32.22 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.023 0.912 . . . . 0.0 108.867 -176.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.7 tp -123.32 154.58 38.7 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.41 -168.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.0 t -138.49 143.55 32.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-O 116.505 -1.712 . . . . 0.0 109.965 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.18 156.03 5.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 120.855 1.661 . . . . 0.0 110.423 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -149.37 118.53 6.78 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.82 -1.086 . . . . 0.0 108.407 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.515 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 17.9 m-85 -107.26 158.02 34.11 Favored Pre-proline 0 C--N 1.357 0.903 0 CA-C-O 115.784 -2.055 . . . . 0.0 106.04 -177.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.1 71.03 5.21 Favored 'Trans proline' 0 C--N 1.358 1.046 0 CA-C-N 123.825 2.402 . . . . 0.0 107.547 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 178.06 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.344 -170.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.515 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 10.2 p90 -155.53 -178.54 7.35 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.472 ' CE1' HG23 ' A' ' 100' ' ' THR . 1.3 t-80 -136.6 155.23 50.2 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 176.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.55 150.93 27.0 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.959 -1.02 . . . . 0.0 108.713 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.472 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -140.32 110.53 6.6 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 178.331 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 t -84.59 163.88 19.04 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 120.166 1.348 . . . . 0.0 108.429 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -159.97 100.42 1.41 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.531 1.06 . . . . 0.0 110.082 -170.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.55 145.99 13.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 CA-C-O 117.778 -1.106 . . . . 0.0 110.33 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.25 82.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.961 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 62.31 -85.9 0.04 OUTLIER Glycine 0 C--N 1.355 1.597 0 CA-C-O 118.69 -1.061 . . . . 0.0 110.456 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.51 55.96 1.66 Allowed 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.98 171.16 18.77 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tp -140.65 117.57 11.11 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 104.87 -2.271 . . . . 0.0 104.87 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.47 160.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 120.621 1.555 . . . . 0.0 108.985 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -139.2 157.26 46.24 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.313 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.6 t -135.31 95.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.77 172.39 13.18 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.4 m -165.97 150.98 8.45 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 116.331 -1.795 . . . . 0.0 110.552 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.7 tt -159.32 -52.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.822 0 CA-C-N 120.895 1.68 . . . . 0.0 114.368 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.41 69.8 0.23 Allowed Glycine 0 C--N 1.353 1.503 0 CA-C-N 120.826 1.648 . . . . 0.0 109.885 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.37 26.89 72.49 Favored Glycine 0 C--N 1.353 1.476 0 CA-C-O 118.165 -1.353 . . . . 0.0 110.482 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.5 t -147.42 149.56 15.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -139.28 164.36 30.04 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.442 -1.266 . . . . 0.0 107.994 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -133.5 94.95 3.4 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 168.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -78.52 147.03 34.0 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.261 0.937 . . . . 0.0 109.374 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -153.91 152.31 30.46 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 116.257 -1.83 . . . . 0.0 108.109 -171.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 16.1 t -136.8 83.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.813 0 CA-C-N 120.235 1.38 . . . . 0.0 108.631 -168.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 m -72.2 109.41 5.94 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.43 176.89 2.12 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 116.784 -1.579 . . . . 0.0 110.017 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -106.85 72.69 0.91 Allowed 'General case' 0 C--N 1.36 1.044 0 CA-C-N 120.173 1.351 . . . . 0.0 111.427 -169.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.55 -158.99 0.14 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.641 0 CA-C-N 120.83 1.65 . . . . 0.0 109.721 174.573 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 . . . . . 0 CA--C 1.512 -0.511 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -164.34 119.02 1.45 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.122 -1.418 . . . . 0.0 107.326 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.3 -178.47 27.74 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 120.38 1.445 . . . . 0.0 110.972 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -99.59 145.33 27.67 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -144.86 163.62 33.54 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 116.505 -1.712 . . . . 0.0 108.888 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -144.79 132.86 21.48 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.752 1.614 . . . . 0.0 109.429 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttp -52.88 130.22 32.61 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.753 -1.594 . . . . 0.0 107.87 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -106.88 -52.61 2.74 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.299 1.409 . . . . 0.0 109.133 172.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.7 p -135.63 166.46 23.19 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.305 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -132.06 171.94 13.0 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -156.07 133.63 10.95 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.87 -1.538 . . . . 0.0 108.022 174.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 61.0 14.23 5.17 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.131 1.332 . . . . 0.0 113.995 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 2.9 p90 -71.98 -40.68 68.43 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.536 1.516 . . . . 0.0 110.372 177.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 8.2 t0 -60.6 -49.45 77.48 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 120.075 -0.65 . . . . 0.0 109.257 -170.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.69 -47.08 85.18 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.934 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -52.31 -39.05 60.08 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 118.957 -1.097 . . . . 0.0 111.048 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -42.55 76.49 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -62.82 -32.12 73.26 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.036 -174.753 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -77.87 -54.51 6.23 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 119.793 1.179 . . . . 0.0 108.76 171.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.4 tp -50.41 -41.16 51.92 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.587 -169.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.78 70.62 0.62 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -132.78 160.99 42.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.907 -172.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -80.06 156.91 26.88 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.29 0.95 . . . . 0.0 113.542 -170.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.7 p -61.15 -43.6 98.63 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 119.198 -0.429 . . . . 0.0 110.497 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.17 -52.23 61.83 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.049 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 m -74.73 -33.36 30.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.874 -174.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.9 mt -51.52 -53.91 14.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-N 119.907 1.231 . . . . 0.0 108.815 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -58.63 -34.33 71.06 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 119.501 -0.88 . . . . 0.0 110.509 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.77 -51.41 22.83 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.14 -0.933 . . . . 0.0 109.496 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.26 -46.16 1.49 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.846 0.748 . . . . 0.0 110.319 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -62.13 -58.99 5.74 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.479 -0.772 . . . . 0.0 109.041 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -100.81 53.0 0.86 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.332 0.515 . . . . 0.0 111.073 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.25 115.18 6.09 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.413 -1.279 . . . . 0.0 109.166 174.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -71.47 78.88 0.78 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.056 1.298 . . . . 0.0 108.087 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.1 mm -51.28 145.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 117.837 -1.078 . . . . 0.0 108.115 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -98.51 153.71 4.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.2 m -143.84 143.76 31.46 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -141.05 146.69 37.51 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.85 150.28 19.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-N 119.954 1.252 . . . . 0.0 111.646 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -144.84 106.38 4.24 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 171.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -82.65 87.47 6.73 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -81.33 70.42 8.18 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.52 -155.82 52.47 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 119.968 -1.11 . . . . 0.0 111.701 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -48.32 -32.87 7.99 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.654 -1.165 . . . . 0.0 110.751 176.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -84.07 150.88 25.29 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.217 1.371 . . . . 0.0 109.079 174.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -124.78 162.99 23.09 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.21 79.53 1.81 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 174.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -88.09 161.63 17.22 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 117.769 -1.11 . . . . 0.0 108.879 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.0 m -152.66 152.3 31.59 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 117.364 -1.303 . . . . 0.0 111.295 165.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -126.83 83.28 2.15 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 . . . . . 0 CA--C 1.503 -0.851 0 CA-C-O 117.697 -1.144 . . . . 0.0 109.125 -169.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 . . . . . 0 CA--C 1.51 -0.588 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.8 m -94.28 102.68 14.69 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 170.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.1 ttp -77.78 151.27 34.11 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 104.112 -2.551 . . . . 0.0 104.112 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.84 154.22 39.19 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.648 2.022 . . . . 0.0 113.854 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -128.29 70.93 1.37 Allowed 'General case' 0 C--N 1.36 1.056 0 O-C-N 123.955 0.784 . . . . 0.0 109.629 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -74.23 146.25 43.45 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 169.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -171.22 169.79 6.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.442 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.3 m -126.14 138.21 53.65 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.36 153.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -168.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.34 22.32 58.45 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-O 117.405 -1.775 . . . . 0.0 109.779 -171.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -141.05 -64.13 0.46 Allowed 'General case' 0 C--N 1.359 1.009 0 CA-C-N 119.471 1.636 . . . . 0.0 109.995 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.25 10.9 pt-20 119.03 155.31 0.0 OUTLIER 'General case' 0 C--N 1.359 0.986 0 C-N-CA 124.714 1.206 . . . . 0.0 107.785 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -163.02 166.05 24.14 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.984 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -77.81 139.66 39.34 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 170.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.1 mt -135.26 142.07 40.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 120.085 1.312 . . . . 0.0 107.657 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -75.42 -41.05 56.97 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.036 1.289 . . . . 0.0 111.866 -171.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 p . . . . . 0 C--N 1.35 0.59 0 O-C-N 124.139 0.899 . . . . 0.0 112.616 178.108 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.682 -1.151 . . . . 0.0 107.932 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -102.8 136.49 42.53 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 170.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -144.99 158.87 43.68 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 116.532 -1.699 . . . . 0.0 108.824 -173.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.3 m -102.43 103.32 13.7 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.821 1.191 . . . . 0.0 108.211 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -76.56 146.5 8.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -139.69 177.91 7.61 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -133.21 168.35 18.7 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 118.405 0.548 . . . . 0.0 110.097 -173.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.5 67.71 1.22 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.443 1.089 . . . . 0.0 108.494 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.82 -90.05 0.77 Allowed Glycine 0 C--N 1.354 1.541 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.545 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -122.54 41.77 1.76 Allowed Glycine 0 C--N 1.355 1.634 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.06 154.56 37.23 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.851 -1.547 . . . . 0.0 107.409 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 tp -126.51 153.45 45.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.403 1.456 . . . . 0.0 112.259 -166.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.4 t -139.33 145.02 27.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.638 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 p -155.54 157.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 120.368 1.44 . . . . 0.0 110.358 171.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -148.57 120.0 7.92 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.458 -1.258 . . . . 0.0 107.747 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.449 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 15.8 m-85 -107.41 157.81 34.73 Favored Pre-proline 0 C--N 1.357 0.921 0 CA-C-O 115.917 -1.992 . . . . 0.0 106.575 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.39 73.51 2.74 Favored 'Trans proline' 0 C--N 1.358 1.037 0 CA-C-N 123.381 2.243 . . . . 0.0 107.672 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 177.07 -50.46 0.01 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.559 -174.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.449 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 7.4 p90 -152.89 179.88 8.26 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.233 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -132.25 153.99 50.09 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 119.659 1.118 . . . . 0.0 108.011 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.18 151.44 19.42 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 118.228 -0.892 . . . . 0.0 109.73 -174.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.78 110.69 4.78 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -172.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -90.32 164.89 14.18 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.273 1.397 . . . . 0.0 108.47 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -154.86 131.58 10.68 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.363 -1.303 . . . . 0.0 109.924 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 mm -93.32 147.74 5.25 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.1 t -137.18 75.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.05 -85.32 0.8 Allowed Glycine 0 C--N 1.354 1.574 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -135.05 60.56 1.7 Allowed 'General case' 0 C--N 1.353 0.735 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -168.82 142.58 3.01 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.102 -1.428 . . . . 0.0 107.401 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.2 tp -114.44 137.58 51.66 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.49 168.85 23.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 119.791 1.178 . . . . 0.0 108.83 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -153.46 151.97 30.46 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.586 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.41 103.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.6 p -78.07 -179.42 6.12 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.518 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.5 m -168.9 155.43 6.84 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 116.308 -1.806 . . . . 0.0 109.985 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.7 tt -155.4 -52.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 120.988 1.722 . . . . 0.0 112.989 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -140.91 -77.43 0.05 OUTLIER Glycine 0 C--N 1.354 1.557 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.99 34.36 2.99 Favored Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 173.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.6 t -144.77 151.86 15.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -137.43 171.1 14.98 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.274 -1.346 . . . . 0.0 107.668 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.76 86.63 2.23 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.596 1.544 . . . . 0.0 109.591 170.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.06 151.2 44.78 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.421 1.464 . . . . 0.0 109.223 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -163.3 152.56 14.79 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 116.208 -1.853 . . . . 0.0 109.948 -172.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 36.0 m -134.64 98.53 2.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-N 120.589 1.541 . . . . 0.0 110.294 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.9 m -87.18 99.65 12.1 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.36 171.24 0.82 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.333 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -107.31 95.65 5.86 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.62 -158.3 0.31 Allowed 'General case' 0 C--N 1.35 0.629 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -171.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.719 0 CA-C-N 120.272 1.397 . . . . 0.0 111.21 -177.702 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 CA--C 1.513 -0.455 0 CA-C-O 119.261 -0.4 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m -164.27 121.73 1.71 Allowed 'General case' 0 C--N 1.351 0.641 0 CA-C-O 117.343 -1.313 . . . . 0.0 108.05 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.55 178.23 26.1 Favored Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.31 -1.272 . . . . 0.0 110.747 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -94.05 148.06 22.53 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 172.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -147.28 169.92 18.37 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 116.513 -1.708 . . . . 0.0 109.149 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -157.04 143.98 18.52 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 121.405 1.911 . . . . 0.0 111.354 171.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.2 mtm -62.5 158.99 16.57 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.695 0.68 . . . . 0.0 110.611 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -159.81 -59.19 0.06 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.11 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m -107.42 164.47 12.17 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 30.4 tt0 -161.38 155.45 22.4 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.331 -1.318 . . . . 0.0 110.759 -166.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -159.99 135.31 8.14 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-O 116.938 -1.506 . . . . 0.0 111.31 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 53.45 41.3 32.12 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-N 121.242 1.837 . . . . 0.0 110.4 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -96.73 -53.38 3.57 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 118.476 -0.774 . . . . 0.0 109.299 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.98 -58.0 8.46 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.553 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.32 -51.09 57.52 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 119.442 1.019 . . . . 0.0 109.823 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -52.99 -49.23 66.6 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 118.717 -1.193 . . . . 0.0 111.806 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 32.5 mmm -75.19 -48.42 23.62 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 118.615 0.643 . . . . 0.0 109.861 -173.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -38.67 -47.4 1.34 Allowed 'General case' 0 C--N 1.351 0.659 0 O-C-N 123.31 0.381 . . . . 0.0 110.913 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.38 -36.09 17.98 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.103 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -53.14 -42.07 65.73 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.059 0.845 . . . . 0.0 108.773 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.42 66.21 0.19 Allowed Glycine 0 C--N 1.356 1.65 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.4 mm -134.38 157.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-O 117.478 -1.248 . . . . 0.0 108.774 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 t -91.4 137.38 32.41 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.618 1.099 . . . . 0.0 112.275 -175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.2 t -48.86 -41.63 33.79 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -173.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -57.64 -46.6 83.95 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.018 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.86 -27.74 18.67 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.282 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.23 -56.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -56.38 -27.87 57.48 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.347 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.61 -61.45 2.51 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.278 1.399 . . . . 0.0 109.33 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.67 -31.29 47.13 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 121.146 1.794 . . . . 0.0 111.339 -173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -67.19 -61.66 1.81 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.261 -0.975 . . . . 0.0 109.484 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -69.21 -55.2 11.28 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.793 -177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -71.43 134.1 46.37 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.454 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -81.4 96.69 7.43 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.84 141.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 106.236 -1.765 . . . . 0.0 106.236 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.9 t -94.77 154.2 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.892 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.7 m -136.13 121.43 19.18 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 117.083 -1.437 . . . . 0.0 108.138 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -117.47 152.89 34.11 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.3 t -144.36 147.97 18.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-O 118.097 -0.954 . . . . 0.0 108.769 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -146.59 91.86 2.09 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 164.6 23.67 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.256 -173.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -147.48 67.52 1.13 Allowed 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -171.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.79 -151.06 49.6 Favored Glycine 0 C--N 1.351 1.401 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 -173.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -48.28 -38.41 18.7 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.379 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.25 156.07 31.69 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.65 1.113 . . . . 0.0 110.833 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.94 164.36 26.3 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.904 0.775 . . . . 0.0 109.854 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -135.99 67.93 1.46 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -71.39 162.82 28.82 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -174.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 m -156.7 161.12 39.85 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 119.02 -1.072 . . . . 0.0 110.05 164.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -151.71 143.64 23.8 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 116.838 -1.554 . . . . 0.0 107.938 172.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 C--N 1.358 0.971 0 CA-C-O 117.305 -1.331 . . . . 0.0 111.954 -160.854 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.422 ' CD2' ' C ' ' A' ' 57' ' ' HIS . 34.9 t60 . . . . . 0 CA--C 1.513 -0.478 0 CA-C-O 117.744 -1.122 . . . . 0.0 109.041 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 m -135.5 109.41 8.15 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 168.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.4 ttp -76.28 149.38 37.12 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 173.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -140.19 144.18 36.47 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 120.126 1.33 . . . . 0.0 110.556 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -132.33 73.77 1.55 Allowed 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -173.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.73 151.28 46.86 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 170.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -166.26 168.79 14.85 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.784 -1.103 . . . . 0.0 111.252 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 m -126.26 131.08 51.98 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -89.87 143.09 11.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.42 19.42 74.43 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-O 117.311 -1.827 . . . . 0.0 109.642 -175.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -137.77 -71.88 0.43 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 119.461 1.63 . . . . 0.0 109.518 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.273 14.1 pt-20 124.61 150.56 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -165.4 159.98 17.58 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.785 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -67.21 132.11 47.12 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 106.328 -1.731 . . . . 0.0 106.328 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.0 mt -130.7 134.54 61.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -87.44 123.08 31.99 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.505 -0.763 0 CA-C-N 119.425 1.012 . . . . 0.0 113.028 -168.073 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 CA--C 1.509 -0.623 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.08 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -100.86 82.26 2.38 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -84.79 163.59 19.01 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 117.406 -1.283 . . . . 0.0 109.932 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.1 m -102.99 106.03 16.47 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.879 -1.058 . . . . 0.0 109.008 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.15 150.14 4.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-O 117.335 -1.317 . . . . 0.0 107.671 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -144.75 -177.67 5.63 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 38.5 ttm -139.54 148.97 43.33 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 116.954 -1.498 . . . . 0.0 108.968 -173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -141.09 62.74 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.379 1.445 . . . . 0.0 110.399 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 64.93 80.59 0.14 Allowed Glycine 0 C--N 1.353 1.526 0 C-N-CA 119.906 -1.14 . . . . 0.0 110.999 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 65.52 37.37 93.62 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -158.11 149.98 21.72 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.639 -1.648 . . . . 0.0 108.092 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tp -120.39 157.97 28.15 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.934 1.243 . . . . 0.0 109.197 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.2 t -143.47 141.73 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.832 0 CA-C-O 116.115 -1.898 . . . . 0.0 108.885 -172.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -155.89 157.03 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 121.09 1.768 . . . . 0.0 110.232 173.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -149.92 121.49 8.0 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.525 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.481 ' CD2' ' HB2' ' A' ' 81' ' ' ALA . 10.4 m-85 -112.57 157.14 41.1 Favored Pre-proline 0 C--N 1.356 0.89 0 CA-C-O 115.949 -1.977 . . . . 0.0 105.734 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.81 74.98 2.73 Favored 'Trans proline' 0 C--N 1.356 0.971 0 CA-C-N 123.672 2.347 . . . . 0.0 107.7 170.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 177.37 -51.05 0.01 OUTLIER 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.998 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 2.9 p90 -154.24 -175.99 5.66 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.461 ' CE1' HG23 ' A' ' 100' ' ' THR . 0.7 OUTLIER -134.87 157.47 46.74 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 175.595 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -153.63 150.71 28.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.591 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.461 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.8 OUTLIER -134.3 108.99 8.53 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 174.216 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.4 m -80.91 163.81 23.07 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 117.739 -1.124 . . . . 0.0 107.996 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -161.11 130.08 4.63 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.196 -1.383 . . . . 0.0 110.835 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mm -89.67 145.84 6.92 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 CA-C-N 119.71 1.141 . . . . 0.0 107.937 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -136.23 73.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.862 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.13 -86.05 0.58 Allowed Glycine 0 C--N 1.355 1.605 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -135.26 57.7 1.79 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -170.37 133.36 1.07 Allowed 'General case' 0 C--N 1.351 0.635 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -175.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.5 tp -102.2 142.02 34.1 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 104.907 -2.257 . . . . 0.0 104.907 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.19 165.13 28.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-N 119.777 1.171 . . . . 0.0 108.564 175.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -146.14 162.1 38.72 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.188 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.6 t -138.44 93.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -72.77 170.08 15.37 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 65.9 m -166.13 156.41 12.52 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 116.927 -1.511 . . . . 0.0 110.671 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -156.1 -51.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-N 120.023 1.283 . . . . 0.0 112.587 174.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -139.0 -78.56 0.06 OUTLIER Glycine 0 C--N 1.356 1.639 0 N-CA-C 108.19 -1.964 . . . . 0.0 108.19 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.23 33.71 3.26 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 67.6 t -141.28 154.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -155.05 130.67 9.88 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 116.458 -1.734 . . . . 0.0 108.077 -174.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -100.3 95.62 6.9 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 -178.135 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -81.94 143.54 31.57 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.301 -1.333 . . . . 0.0 108.084 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.432 ' HB3' ' CE1' ' A' ' 119' ' ' TYR . 20.2 ptt180 -150.74 173.21 14.45 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-O 116.975 -1.488 . . . . 0.0 108.473 -173.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.9 m -141.84 112.0 2.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.8 m -94.03 102.07 14.13 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 104.906 -2.257 . . . . 0.0 104.906 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -62.54 167.02 4.67 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 116.955 -1.498 . . . . 0.0 109.804 -176.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.05 95.04 5.5 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -175.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.64 -154.66 0.14 Allowed 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.116 -1.421 . . . . 0.0 107.518 -173.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.658 0 CA-C-N 120.762 1.619 . . . . 0.0 110.232 -178.343 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 . . . . . 0 CA--C 1.509 -0.597 0 CA-C-O 119.314 -0.374 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.0 m -158.14 122.28 4.12 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.909 -1.043 . . . . 0.0 108.208 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.13 -174.15 37.68 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 118.419 -1.212 . . . . 0.0 111.067 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -112.39 142.81 44.47 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 173.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -147.94 168.67 21.66 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 116.948 -1.501 . . . . 0.0 109.749 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -152.81 153.43 33.11 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 120.782 1.628 . . . . 0.0 110.927 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.5 ttm -70.51 141.77 51.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.215 -1.374 . . . . 0.0 110.507 -170.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -115.8 -57.56 2.21 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.023 0.827 . . . . 0.0 109.176 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -146.18 174.34 11.41 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.89 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -138.86 174.39 10.57 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.703 -1.142 . . . . 0.0 109.667 -173.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -118.34 -61.09 1.71 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.822 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -126.6 34.83 4.73 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.597 1.09 . . . . 0.0 110.591 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 39.4 t80 -56.72 -52.7 63.97 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 118.591 -0.719 . . . . 0.0 112.923 -176.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.24 -56.37 20.73 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.878 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.15 -51.83 67.42 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.384 -0.927 . . . . 0.0 110.01 -175.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -43.62 -40.13 3.93 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.717 176.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.473 ' SD ' ' CE1' ' A' ' 14' ' ' TYR . 16.1 mtt -82.0 -32.29 30.65 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 117.51 -1.234 . . . . 0.0 110.856 -177.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -34.29 59.73 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.143 1.338 . . . . 0.0 109.937 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.0 0.84 13.16 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.209 -1.377 . . . . 0.0 114.137 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.2 tp -70.8 -48.15 55.73 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 164.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.95 62.75 0.08 OUTLIER Glycine 0 C--N 1.359 1.825 0 CA-C-O 117.691 -1.616 . . . . 0.0 110.981 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.8 mm -128.75 156.33 41.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 CA-C-N 119.009 1.404 . . . . 0.0 108.572 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 t -81.09 149.6 29.13 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.863 -1.065 . . . . 0.0 112.972 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.5 p -72.58 69.55 0.88 Allowed 'General case' 0 C--N 1.36 1.022 0 CA-C-N 119.126 0.876 . . . . 0.0 111.874 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -172.85 -56.01 0.02 OUTLIER 'General case' 0 C--N 1.35 0.589 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.1 t -55.47 -41.93 65.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.7 mt -48.37 -64.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 174.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -51.16 -31.75 20.89 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.767 -173.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -67.13 -70.02 0.28 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.401 -1.285 . . . . 0.0 110.133 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.95 -26.57 6.13 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.559 1.527 . . . . 0.0 112.316 -168.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -60.61 -63.04 1.44 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.046 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -72.02 -53.37 13.15 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.356 -0.937 . . . . 0.0 109.141 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -57.11 115.91 2.92 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.773 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -75.09 101.04 4.4 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.9 146.02 12.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.0 t -98.02 155.98 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 m -141.67 125.29 16.82 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 117.172 -1.394 . . . . 0.0 109.751 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -117.29 154.49 31.13 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.7 t -141.59 144.79 25.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.422 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -146.01 102.64 3.66 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.18 166.36 6.2 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.735 1.152 . . . . 0.0 110.822 -175.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -150.02 59.32 0.98 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.21 -151.64 50.15 Favored Glycine 0 C--N 1.353 1.502 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -49.52 -34.47 17.41 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.823 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -77.06 147.65 36.58 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.13 1.332 . . . . 0.0 110.276 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -119.99 167.59 12.01 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.38 75.53 1.53 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -81.86 162.68 22.71 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 117.514 -1.231 . . . . 0.0 109.316 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 m -155.21 149.42 25.92 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.412 -1.28 . . . . 0.0 111.806 166.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -121.95 95.44 4.66 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 . . . . . 0 CA--C 1.501 -0.91 0 CA-C-O 117.262 -1.351 . . . . 0.0 109.425 -172.396 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.9 m -79.74 97.95 6.81 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.5 ttp -75.33 152.93 38.09 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 173.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.42 153.86 40.12 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 121.026 1.739 . . . . 0.0 112.603 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -131.83 75.52 1.65 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -78.37 144.67 35.76 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 172.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -167.36 171.44 10.59 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.733 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.6 m -130.03 133.98 47.1 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.58 152.06 3.4 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 CA-C-N 118.787 0.722 . . . . 0.0 109.387 -166.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.06 23.55 59.61 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-O 116.82 -2.1 . . . . 0.0 110.339 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -139.24 -48.83 0.49 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 119.897 1.848 . . . . 0.0 114.225 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 104.21 132.18 0.01 OUTLIER 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.518 1.053 . . . . 0.0 109.222 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.6 m -160.18 159.84 32.13 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.188 -1.387 . . . . 0.0 108.575 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -71.04 145.47 49.92 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.312 1.415 . . . . 0.0 107.521 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.5 mt -134.87 139.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.93 -34.93 51.04 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 120.337 1.426 . . . . 0.0 110.527 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.281 6.3 p . . . . . 0 CA--C 1.504 -0.812 0 CA-C-O 117.658 -1.163 . . . . 0.0 108.268 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 CA--C 1.514 -0.425 0 N-CA-C 105.796 -1.927 . . . . 0.0 105.796 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -120.64 151.4 39.51 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 171.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -159.5 157.97 31.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 116.947 -1.502 . . . . 0.0 110.973 -169.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 m -103.44 102.88 12.81 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -75.02 144.78 11.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.44 -179.22 5.61 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 171.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -129.46 167.22 18.16 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -157.78 179.43 9.22 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.406 -1.283 . . . . 0.0 109.305 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -35.4 95.29 0.01 OUTLIER Glycine 0 C--N 1.355 1.604 0 CA-C-O 118.467 -1.185 . . . . 0.0 115.649 -173.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.91 43.61 71.36 Favored Glycine 0 C--N 1.357 1.715 0 CA-C-N 118.897 1.349 . . . . 0.0 110.295 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -164.22 158.24 18.77 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.244 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -121.66 152.67 39.08 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 117.684 -1.15 . . . . 0.0 109.923 -172.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.0 t -136.6 144.99 31.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-O 116.998 -1.477 . . . . 0.0 109.8 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.9 p -155.88 158.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 120.459 1.481 . . . . 0.0 109.869 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -144.96 124.07 12.86 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.879 -1.058 . . . . 0.0 108.233 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 68.0 m-85 -105.16 160.53 25.69 Favored Pre-proline 0 C--N 1.356 0.863 0 CA-C-O 115.831 -2.033 . . . . 0.0 106.226 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.24 69.51 4.01 Favored 'Trans proline' 0 C--N 1.357 0.99 0 CA-C-N 123.651 2.339 . . . . 0.0 110.015 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.3 p30 165.01 -72.1 0.0 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.025 -0.988 . . . . 0.0 108.483 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.538 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 3.2 p90 -101.24 172.92 6.71 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.409 ' CE1' HG23 ' A' ' 100' ' ' THR . 1.0 OUTLIER -139.24 156.18 47.26 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 177.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -154.28 152.83 30.75 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.616 1.098 . . . . 0.0 109.777 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.409 HG23 ' CE1' ' A' ' 98' ' ' HIS . 1.8 p -143.46 106.45 4.51 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.3 m -83.21 163.6 20.67 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-N 119.876 1.216 . . . . 0.0 108.429 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -159.42 131.19 6.31 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.133 -1.413 . . . . 0.0 109.704 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.6 mm -93.18 149.17 4.33 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 CA-C-N 119.99 1.268 . . . . 0.0 107.797 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.8 t -138.19 76.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.89 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.76 -85.35 0.76 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -136.03 59.37 1.71 Allowed 'General case' 0 C--N 1.354 0.781 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -170.13 143.22 2.42 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.066 -1.445 . . . . 0.0 107.515 -172.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.0 tp -110.9 137.31 48.7 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 m -134.47 160.4 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 CA-C-N 119.782 1.174 . . . . 0.0 108.349 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -139.42 167.47 22.0 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.823 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.3 t -143.27 101.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-O 116.427 -1.749 . . . . 0.0 106.63 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 171.44 10.42 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.043 1.747 . . . . 0.0 106.759 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.5 m -165.1 149.73 9.05 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 116.028 -1.939 . . . . 0.0 110.591 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.9 tt -161.72 -48.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 120.92 1.691 . . . . 0.0 114.789 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.49 75.79 0.12 Allowed Glycine 0 C--N 1.354 1.557 0 CA-C-N 121.246 1.839 . . . . 0.0 110.424 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.59 26.64 72.66 Favored Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.161 -1.355 . . . . 0.0 110.684 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.4 152.95 14.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 83.2 m -151.66 114.74 4.72 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -102.35 87.27 2.99 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 119.629 1.104 . . . . 0.0 108.065 -175.494 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.5 161.99 18.3 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.107 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -165.88 155.69 12.38 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 115.993 -1.956 . . . . 0.0 109.522 -162.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.1 m -134.58 83.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-N 120.921 1.692 . . . . 0.0 111.636 -170.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.1 m -69.5 131.93 45.5 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.575 1.534 . . . . 0.0 107.367 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -90.92 167.29 12.53 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 120.639 1.563 . . . . 0.0 107.241 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -102.99 79.62 1.78 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.959 1.254 . . . . 0.0 109.366 -169.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.94 -156.94 0.23 Allowed 'General case' 0 C--N 1.352 0.707 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -173.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.633 0 CA-C-N 120.511 1.505 . . . . 0.0 110.028 178.236 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 CA--C 1.509 -0.624 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 m -155.47 112.06 3.19 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.09 -171.79 38.08 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-O 118.095 -1.392 . . . . 0.0 110.632 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -113.59 145.1 41.8 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -146.16 170.78 16.02 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.392 -1.29 . . . . 0.0 110.023 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.29 147.42 24.71 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.844 1.202 . . . . 0.0 110.05 170.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ttp -50.92 133.7 26.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 116.605 -1.664 . . . . 0.0 109.736 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -99.73 -57.72 2.08 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 120.661 1.573 . . . . 0.0 110.346 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 m -132.94 -56.94 0.93 Allowed 'General case' 0 C--N 1.358 0.969 0 CA-C-O 117.154 -1.403 . . . . 0.0 114.178 -170.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 87.13 153.14 0.06 Allowed 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.669 1.122 . . . . 0.0 111.151 -174.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -159.48 138.6 11.1 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.096 -1.43 . . . . 0.0 108.444 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 60.99 16.53 7.08 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.934 1.243 . . . . 0.0 113.281 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -63.4 -49.15 74.94 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.098 0.863 . . . . 0.0 113.123 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -59.33 -63.23 1.38 Allowed 'General case' 0 C--N 1.348 0.532 0 CA-C-N 120.248 1.385 . . . . 0.0 113.083 -168.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.41 -43.16 97.0 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.207 -174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -43.51 -39.74 3.54 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 119.733 1.152 . . . . 0.0 112.716 176.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.3 mmm -78.94 -35.76 42.79 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 118.374 -0.822 . . . . 0.0 108.992 -174.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -62.03 -35.02 77.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.776 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.13 -51.4 13.54 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.938 1.244 . . . . 0.0 108.884 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.9 tp -46.36 -40.57 12.16 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.605 -173.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.85 68.47 0.46 Allowed Glycine 0 C--N 1.354 1.556 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 175.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.1 mm -130.6 157.31 42.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.877 -1.059 . . . . 0.0 108.66 -174.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -86.64 134.39 33.62 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.835 -1.079 . . . . 0.0 111.719 -175.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.3 t -46.27 -41.38 13.01 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.311 0.959 . . . . 0.0 112.756 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -53.83 -50.58 65.86 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.609 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -81.18 -23.13 10.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-O 117.393 -1.289 . . . . 0.0 111.014 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.2 mt -55.82 -47.2 79.88 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 120.91 1.686 . . . . 0.0 107.199 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -58.67 -32.76 69.4 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 118.168 -0.92 . . . . 0.0 111.214 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -61.16 -67.33 0.42 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.949 1.25 . . . . 0.0 108.69 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.79 -3.18 14.41 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.592 -1.194 . . . . 0.0 112.732 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -64.6 -49.88 69.37 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.67 1.577 . . . . 0.0 108.096 169.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -136.8 45.15 2.3 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.96 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -114.72 135.79 53.77 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 171.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -73.39 146.77 44.88 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -132.83 125.46 52.44 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -85.4 150.01 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m -136.92 124.46 22.21 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -122.02 149.75 43.06 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -139.4 143.78 30.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-O 117.42 -1.276 . . . . 0.0 108.241 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -139.23 86.98 2.16 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 171.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -61.8 151.43 34.27 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.432 -0.794 . . . . 0.0 108.929 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -147.36 68.21 1.14 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -172.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.27 -156.45 52.21 Favored Glycine 0 C--N 1.352 1.423 0 C-N-CA 119.328 -1.415 . . . . 0.0 109.654 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -45.57 -38.21 6.24 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.127 174.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.89 147.87 36.78 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.503 1.047 . . . . 0.0 110.674 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.68 164.67 18.64 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -136.47 73.19 1.44 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -78.45 164.23 24.94 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.553 -171.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.8 m -151.93 154.46 36.13 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.706 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -135.11 89.4 2.52 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.354 0.798 0 CA-C-O 117.674 -1.155 . . . . 0.0 109.631 -171.519 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.507 -0.7 0 N-CA-C 105.261 -2.125 . . . . 0.0 105.261 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 m -78.28 101.23 7.05 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 173.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 43.2 ttp -81.99 154.46 25.69 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 171.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.96 154.3 47.15 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.213 1.369 . . . . 0.0 111.218 175.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -128.69 75.08 1.61 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.5 145.22 45.79 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -162.71 166.31 24.54 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.411 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -125.32 134.24 52.31 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -88.26 153.13 3.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -169.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.31 22.05 57.92 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-O 117.295 -1.836 . . . . 0.0 110.702 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -140.07 -63.74 0.49 Allowed 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.76 1.78 . . . . 0.0 109.857 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.283 8.9 pt-20 113.18 154.04 0.0 OUTLIER 'General case' 0 C--N 1.356 0.883 0 C-N-CA 124.919 1.288 . . . . 0.0 108.054 177.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.1 m -156.9 168.08 28.54 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.403 -1.284 . . . . 0.0 108.359 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -79.66 87.67 5.19 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.1 mt -83.64 142.99 12.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.404 -172.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -99.93 56.46 0.96 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 118.622 0.646 . . . . 0.0 110.831 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.352 0.684 0 O-C-N 121.915 -0.491 . . . . 0.0 111.384 175.596 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 CA--C 1.507 -0.68 0 CA-C-O 117.382 -1.294 . . . . 0.0 107.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -128.97 142.85 50.79 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -163.66 144.59 8.95 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.97 -1.49 . . . . 0.0 109.924 -169.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -95.59 107.97 20.2 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.398 0.999 . . . . 0.0 109.767 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.2 t -77.99 147.11 7.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -137.1 -177.87 4.95 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -155.62 149.57 25.45 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 117.488 -1.244 . . . . 0.0 108.763 -169.155 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.403 ' N ' ' SD ' ' A' ' 85' ' ' MET . 1.2 pp20? -151.54 164.65 36.37 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 119.482 1.037 . . . . 0.0 110.702 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.08 90.46 0.06 OUTLIER Glycine 0 C--N 1.354 1.549 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -176.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.06 -40.01 1.33 Allowed Glycine 0 C--N 1.355 1.589 0 CA-C-O 118.021 -1.433 . . . . 0.0 111.418 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -159.79 170.41 21.53 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.417 1.608 . . . . 0.0 112.058 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.9 tp -102.74 152.85 20.75 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 117.313 -1.327 . . . . 0.0 107.757 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.4 t -132.42 145.99 33.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-O 116.755 -1.593 . . . . 0.0 109.794 -176.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.8 p -155.35 157.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 120.97 1.714 . . . . 0.0 110.507 171.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -147.85 144.16 27.94 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.273 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.454 ' CE1' ' CE1' ' A' ' 97' ' ' TYR 0.253 24.8 m-85 -124.64 165.82 23.12 Favored Pre-proline 0 C--N 1.354 0.774 0 CA-C-O 116.097 -1.906 . . . . 0.0 106.393 -174.681 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -77.46 58.34 6.28 Favored 'Trans proline' 0 C--N 1.357 0.975 0 CA-C-N 123.588 2.317 . . . . 0.0 109.835 169.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -173.58 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.357 0.906 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.454 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 1.4 p90 -113.43 -178.65 3.43 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.428 ' CE1' HG23 ' A' ' 100' ' ' THR . 0.4 OUTLIER -139.31 157.39 45.98 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.697 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.98 153.58 28.27 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.524 1.056 . . . . 0.0 110.376 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.428 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -141.25 103.67 4.47 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 -178.395 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 m -78.05 163.02 26.27 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 107.454 -1.314 . . . . 0.0 107.454 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -160.44 117.21 2.42 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.731 1.15 . . . . 0.0 110.058 -171.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mm -89.36 150.52 3.69 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-N 119.346 0.976 . . . . 0.0 108.641 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -139.04 75.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.78 -82.93 0.82 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -138.39 63.02 1.54 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -172.34 137.57 0.88 Allowed 'General case' 0 C--N 1.351 0.64 0 CA-C-O 116.632 -1.651 . . . . 0.0 106.922 -173.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.1 tp -112.03 134.68 53.43 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.31 160.52 40.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -140.13 167.33 22.39 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.369 -1.301 . . . . 0.0 109.575 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.8 t -139.15 96.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.8 m -78.09 170.1 17.17 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.155 0.889 . . . . 0.0 109.441 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.6 m -161.58 147.65 13.96 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 116.996 -1.478 . . . . 0.0 110.952 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.8 tt -158.37 74.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-N 119.821 1.191 . . . . 0.0 110.616 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 61.81 22.24 61.89 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 117.346 -1.808 . . . . 0.0 113.469 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.43 -48.89 0.58 Allowed Glycine 0 C--N 1.356 1.67 0 CA-C-N 120.207 2.003 . . . . 0.0 111.63 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.9 t -89.38 153.61 3.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -128.47 164.85 21.86 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -139.43 91.33 2.48 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 167.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -89.45 164.41 14.85 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.922 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -161.64 165.96 27.51 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 117.105 -1.426 . . . . 0.0 109.944 -173.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.42 82.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.654 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -170.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.0 m -79.45 97.98 6.61 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -62.1 170.44 2.21 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.084 -1.436 . . . . 0.0 109.988 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -106.21 84.06 1.98 Allowed 'General case' 0 C--N 1.359 1.016 0 CA-C-N 119.913 1.233 . . . . 0.0 108.932 -172.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.1 -157.44 0.13 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -175.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.727 0 CA-C-N 120.548 1.522 . . . . 0.0 110.876 175.921 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 . . . . . 0 CA--C 1.509 -0.611 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.7 m -159.75 122.49 3.48 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.464 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.28 175.56 24.01 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 118.384 -1.231 . . . . 0.0 110.63 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -92.01 145.98 24.1 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.206 -1.775 . . . . 0.0 106.206 170.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -142.59 165.84 26.3 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 116.766 -1.587 . . . . 0.0 108.873 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -146.24 127.02 14.37 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 116.795 -1.574 . . . . 0.0 110.598 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttp -48.1 109.84 0.27 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-O 117.513 -1.232 . . . . 0.0 108.922 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.14 -53.47 5.76 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.144 1.338 . . . . 0.0 108.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 p -154.26 172.66 17.28 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.129 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.33 170.77 16.11 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 118.795 0.725 . . . . 0.0 111.497 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -143.01 155.27 44.62 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 165.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 52.65 21.03 1.71 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.416 1.007 . . . . 0.0 113.555 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CE2' HG23 ' A' ' 28' ' ' ILE . 53.4 t80 -76.3 -49.77 16.08 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.354 0.979 . . . . 0.0 110.767 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.25 -56.89 12.9 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.359 -173.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.9 -52.41 65.15 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.102 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -43.12 -43.05 4.31 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 120.058 1.299 . . . . 0.0 111.861 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 36.5 mmm -76.86 -34.79 57.79 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.469 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -35.84 81.65 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.815 -1.088 . . . . 0.0 108.491 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.65 -51.8 31.54 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 120.398 1.454 . . . . 0.0 107.918 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.6 tp -48.28 -42.63 31.27 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.38 58.96 0.22 Allowed Glycine 0 C--N 1.356 1.647 0 CA-C-O 117.809 -1.551 . . . . 0.0 110.865 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.0 mm -126.53 155.16 36.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.952 0 CA-C-N 118.762 1.281 . . . . 0.0 108.055 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -72.77 159.92 33.02 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 p -86.04 65.46 9.11 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -167.03 -56.38 0.03 OUTLIER 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.87 -45.96 87.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 169.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.524 HG23 ' CE2' ' A' ' 14' ' ' TYR . 87.5 mt -52.39 -57.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -56.03 -36.6 68.17 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.132 -171.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -75.6 -64.35 1.09 Allowed 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.04 -38.37 0.32 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 118.011 -0.995 . . . . 0.0 113.572 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -77.38 -44.23 30.02 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.195 0.907 . . . . 0.0 111.191 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -74.73 -54.49 7.28 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 35' ' ' LYS . 2.2 t80 -50.05 116.13 1.7 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 173.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 45.4 mmtm -61.49 155.93 20.68 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 175.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 mt -133.5 153.81 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.76 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.4 t -104.82 155.6 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -174.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.1 m -146.02 121.71 10.5 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 116.805 -1.569 . . . . 0.0 107.911 176.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -115.43 153.44 31.08 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.21 147.41 19.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 117.974 -1.013 . . . . 0.0 108.662 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -146.72 94.39 2.43 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 167.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -65.46 161.67 19.49 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 119.373 -0.931 . . . . 0.0 108.838 -174.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -148.73 65.73 1.05 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -172.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.85 -152.25 52.6 Favored Glycine 0 C--N 1.352 1.426 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -50.36 -37.06 35.14 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.747 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.59 156.11 33.02 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.724 1.147 . . . . 0.0 111.083 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 8.7 m-85 -133.14 166.01 23.44 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.883 0.765 . . . . 0.0 109.554 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.3 p -133.57 68.93 1.48 Allowed 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.052 -1.832 . . . . 0.0 106.052 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -76.48 159.88 30.0 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 116.935 -1.507 . . . . 0.0 107.825 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 m -154.86 155.15 33.86 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.114 168.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -127.33 144.42 51.05 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 115.728 -2.082 . . . . 0.0 106.707 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.427 ' N ' ' CD2' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.357 0.897 0 CA-C-N 121.462 1.937 . . . . 0.0 108.823 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.2 t60 . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.6 m -150.76 106.19 3.37 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 166.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 27.9 ttp -81.23 155.51 26.08 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 175.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.0 m -141.64 145.82 35.43 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 121.199 1.818 . . . . 0.0 112.451 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -132.86 72.75 1.5 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -66.67 148.19 52.25 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 169.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.419 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 9.6 p90 -162.22 168.55 22.24 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 119.271 0.942 . . . . 0.0 110.921 178.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -129.89 128.83 43.0 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.44 142.02 13.54 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -168.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.49 17.78 74.86 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-O 116.728 -2.151 . . . . 0.0 110.129 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -137.47 -70.97 0.44 Allowed 'General case' 0 C--N 1.361 1.08 0 CA-C-N 120.296 2.048 . . . . 0.0 109.367 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.254 15.5 pt-20 129.38 156.73 0.0 OUTLIER 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.487 1.115 . . . . 0.0 109.279 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 m -160.48 158.54 29.51 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.558 -1.21 . . . . 0.0 109.397 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -69.61 82.31 0.42 Allowed 'General case' 0 C--N 1.357 0.928 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.16 134.84 26.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 CA-C-O 117.295 -1.336 . . . . 0.0 109.492 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.0 151.34 21.09 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.351 0.657 0 CA-C-N 118.728 0.695 . . . . 0.0 111.956 -166.141 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 CA--C 1.506 -0.724 0 CA-C-O 117.737 -1.125 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -102.76 76.81 1.53 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 173.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.413 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -81.23 160.63 24.23 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.401 -1.285 . . . . 0.0 109.349 -175.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 m -107.94 105.93 15.95 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.603 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.2 t -79.66 148.5 5.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -142.75 -174.51 4.18 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 36.4 ttm -134.59 154.11 51.64 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 117.052 -1.451 . . . . 0.0 108.428 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -139.9 65.77 1.41 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.324 1.42 . . . . 0.0 109.887 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.55 -119.46 5.61 Favored Glycine 0 C--N 1.357 1.707 0 CA-C-O 117.405 -1.775 . . . . 0.0 108.761 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.76 47.35 1.32 Allowed Glycine 0 C--N 1.356 1.679 0 N-CA-C 108.229 -1.949 . . . . 0.0 108.229 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -157.58 153.05 26.26 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.17 -1.395 . . . . 0.0 108.362 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 tp -114.04 156.3 24.37 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.686 -1.15 . . . . 0.0 110.88 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.2 t -133.18 144.46 36.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-O 116.529 -1.7 . . . . 0.0 110.233 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.45 159.12 3.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-N 120.877 1.671 . . . . 0.0 110.248 171.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -148.09 119.88 8.11 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.06 -0.971 . . . . 0.0 108.902 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' A' ' 81' ' ' ALA . 65.1 m-85 -98.29 162.57 21.52 Favored Pre-proline 0 C--N 1.356 0.865 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -78.69 59.42 7.24 Favored 'Trans proline' 0 C--N 1.357 0.976 0 CA-C-N 123.976 2.456 . . . . 0.0 109.848 173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -172.88 -71.62 0.01 OUTLIER 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.403 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 19.2 p90 -110.43 174.7 5.74 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 175.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -133.02 155.6 48.88 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -153.63 155.82 36.79 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.62 1.1 . . . . 0.0 109.113 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.77 105.32 5.1 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.86 164.47 26.6 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 -177.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -163.64 115.8 1.44 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.996 1.271 . . . . 0.0 111.373 -173.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.18 149.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 119.542 1.065 . . . . 0.0 108.47 174.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.49 74.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.54 -84.9 0.75 Allowed Glycine 0 C--N 1.354 1.534 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -139.41 57.54 1.64 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -170.94 126.46 0.7 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -171.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.9 tp -101.82 137.97 39.41 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 -176.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.3 168.1 19.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -145.45 173.07 12.33 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.761 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -150.4 103.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 171.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -84.49 171.96 12.09 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 -176.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 m -161.67 143.0 11.19 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 120.664 1.575 . . . . 0.0 111.173 -172.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 116' ' ' GLY . 12.4 tt -165.27 139.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 116.139 -1.886 . . . . 0.0 109.323 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 45.65 -91.29 0.01 OUTLIER Glycine 0 C--N 1.355 1.621 0 CA-C-N 120.715 1.598 . . . . 0.0 111.254 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 114' ' ' ILE . . . -147.38 43.93 0.82 Allowed Glycine 0 C--N 1.354 1.545 0 CA-C-O 118.799 -1.001 . . . . 0.0 110.824 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.4 t -141.29 151.59 19.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.9 m -130.61 168.38 17.2 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.787 -1.102 . . . . 0.0 108.239 -173.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -153.09 110.38 3.51 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.777 -1.583 . . . . 0.0 109.332 173.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -95.62 160.89 14.28 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 120.316 1.416 . . . . 0.0 110.268 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -145.9 166.66 25.34 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 117.045 -1.455 . . . . 0.0 107.761 174.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 39.8 t -136.42 78.24 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.2 m -73.87 95.59 2.47 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -59.27 169.09 1.24 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.284 -1.341 . . . . 0.0 109.279 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -108.66 87.16 2.43 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -172.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.16 -156.6 0.39 Allowed 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.184 -1.388 . . . . 0.0 107.845 -171.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.687 0 CA-C-N 120.485 1.493 . . . . 0.0 110.267 -175.539 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 . . . . . 0 CA--C 1.509 -0.631 0 CA-C-O 119.72 -0.181 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.0 m -158.26 115.8 2.93 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.278 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.81 174.93 26.23 Favored Glycine 0 C--N 1.354 1.538 0 CA-C-O 117.471 -1.738 . . . . 0.0 110.685 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -98.57 144.09 28.26 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.038 1.419 . . . . 0.0 107.65 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -137.9 171.05 15.0 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.881 -1.533 . . . . 0.0 108.65 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.33 152.37 36.96 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 120.879 1.672 . . . . 0.0 110.612 168.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -81.66 160.24 23.77 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.892 -173.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -167.21 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.519 -1.705 . . . . 0.0 112.983 -177.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.2 p -116.8 154.73 30.18 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 121.588 1.994 . . . . 0.0 108.024 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -169.48 154.32 5.6 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.703 -1.618 . . . . 0.0 110.261 -166.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.52 167.05 13.91 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 121.088 1.767 . . . . 0.0 112.742 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 62.46 42.94 8.34 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 118.791 0.723 . . . . 0.0 109.82 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.61 ' CD1' ' CE1' ' A' ' 119' ' ' TYR . 27.9 t80 -113.45 -61.48 1.73 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -160.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.41 -49.43 34.96 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 119.376 0.989 . . . . 0.0 109.271 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.87 -54.82 40.41 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.067 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -47.31 -35.92 8.61 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 121.567 1.985 . . . . 0.0 112.744 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.4 mmt -87.25 -24.54 24.34 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.105 -175.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -66.85 -38.56 86.62 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.86 -51.57 46.71 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -58.05 -47.44 83.14 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -171.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.26 68.26 0.51 Allowed Glycine 0 C--N 1.355 1.601 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.101 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 mm -126.42 157.5 36.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 CA-C-N 118.316 1.058 . . . . 0.0 109.155 -176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.4 t -71.8 153.94 41.62 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.816 0.735 . . . . 0.0 112.772 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 m -63.03 -30.27 71.47 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.066 -0.968 . . . . 0.0 113.574 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -80.77 -44.08 19.14 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 -175.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.48 -40.05 77.21 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.79 -65.9 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.85 -21.51 57.03 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-O 117.854 -1.07 . . . . 0.0 112.394 -173.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -66.54 -64.06 0.94 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-N 120.847 1.658 . . . . 0.0 106.968 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.25 . . -65.23 -7.97 15.4 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.648 -1.644 . . . . 0.0 112.183 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -59.11 -52.75 64.37 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.934 2.152 . . . . 0.0 106.954 167.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -135.19 49.54 2.19 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 123.404 0.44 . . . . 0.0 111.768 -172.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -119.14 123.41 44.31 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 173.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.51 78.29 0.79 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.29 144.67 14.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.9 t -100.28 154.81 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.96 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.9 m -141.23 154.03 45.57 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 107.472 -1.306 . . . . 0.0 107.472 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -152.38 157.58 41.47 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.04 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -142.81 153.21 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.746 0 O-C-N 124.049 0.843 . . . . 0.0 110.587 -172.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -143.94 106.94 4.49 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -74.9 86.52 2.27 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -80.05 68.87 6.31 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.01 -162.63 45.92 Favored Glycine 0 C--N 1.353 1.509 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.492 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -43.75 -35.31 1.81 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.806 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.64 121.84 26.34 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 117.519 -1.229 . . . . 0.0 109.002 175.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -94.17 161.98 14.05 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.56 80.9 1.92 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 103.52 -2.77 . . . . 0.0 103.52 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -78.86 162.64 25.92 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.398 -1.287 . . . . 0.0 107.905 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -155.58 157.62 37.08 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 119.913 1.233 . . . . 0.0 111.255 167.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -135.04 111.25 9.63 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 116.691 -1.623 . . . . 0.0 106.702 -176.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 . . . . . 0 C--N 1.358 0.97 0 CA-C-N 120.725 1.602 . . . . 0.0 111.076 -171.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.9 t60 . . . . . 0 CA--C 1.511 -0.529 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.9 m -88.15 96.63 10.61 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 103.869 -2.641 . . . . 0.0 103.869 169.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.3 ttp -70.22 153.45 43.08 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -136.78 154.27 50.6 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.73 1.605 . . . . 0.0 111.917 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -135.46 73.01 1.45 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -76.44 156.5 33.04 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.706 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -168.48 171.65 8.84 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.667 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -129.68 129.28 44.05 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.07 146.18 6.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -167.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.81 7.9 59.72 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-O 115.897 -2.613 . . . . 0.0 111.838 -174.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -137.81 2.51 2.4 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 121.396 2.598 . . . . 0.0 116.871 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 61.93 138.23 0.01 OUTLIER 'General case' 0 C--N 1.35 0.622 0 CA-C-N 120.846 1.657 . . . . 0.0 114.522 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 m -164.36 163.66 22.37 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.265 -1.35 . . . . 0.0 108.247 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -73.63 140.84 46.42 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.162 1.346 . . . . 0.0 108.4 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.8 mt -137.77 146.5 27.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 CA-C-O 117.105 -1.426 . . . . 0.0 108.016 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -111.1 59.09 0.61 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.447 1.021 . . . . 0.0 109.981 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.353 0.738 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.521 172.837 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 . . . . . 0 CA--C 1.508 -0.637 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -136.15 147.42 47.72 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.138 -0.934 . . . . 0.0 108.751 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.88 162.89 29.44 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.113 -1.423 . . . . 0.0 109.633 -173.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.2 m -105.57 99.84 9.43 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.358 0.981 . . . . 0.0 108.811 -177.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.52 146.0 10.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -140.46 -179.36 5.97 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -135.27 171.85 13.85 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -156.02 65.22 0.58 Allowed 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.719 -0.793 . . . . 0.0 111.003 170.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.08 -105.44 3.13 Favored Glycine 0 C--N 1.356 1.667 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.3 43.23 1.73 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 107.735 -2.146 . . . . 0.0 107.735 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.25 151.64 32.12 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.2 tp -122.28 152.46 40.05 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.985 -165.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.0 t -139.36 147.57 24.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 CA-C-O 116.804 -1.57 . . . . 0.0 110.484 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.28 159.17 2.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 120.736 1.607 . . . . 0.0 110.422 170.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -148.27 138.91 22.9 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.745 -1.121 . . . . 0.0 108.853 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . 0.251 13.4 m-85 -119.04 165.27 17.45 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-O 116.261 -1.828 . . . . 0.0 106.561 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.49 64.57 7.33 Favored 'Trans proline' 0 C--N 1.357 0.978 0 CA-C-N 123.15 2.161 . . . . 0.0 108.192 166.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -178.88 -81.89 0.0 OUTLIER 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.78 -1.105 . . . . 0.0 108.106 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.07 -173.9 2.35 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.196 0.907 . . . . 0.0 109.318 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -138.01 159.46 41.95 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.09 150.07 26.8 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.761 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.95 108.9 4.4 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -91.89 161.42 14.84 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 120.351 1.432 . . . . 0.0 108.519 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.46 120.95 8.51 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.83 -1.081 . . . . 0.0 109.325 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -85.94 148.31 4.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.28 75.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.49 -81.29 0.61 Allowed Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -138.59 61.18 1.59 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -170.28 137.84 1.53 Allowed 'General case' 0 C--N 1.351 0.665 0 CA-C-O 116.902 -1.523 . . . . 0.0 107.358 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.5 tp -112.66 137.13 51.39 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.48 173.52 14.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 CA-C-N 120.22 1.373 . . . . 0.0 108.4 173.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -149.05 154.97 40.06 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 116.923 -1.513 . . . . 0.0 110.846 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 68.9 t -139.47 109.22 3.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.0 p -82.13 174.84 10.83 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.955 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.6 m -161.94 155.65 21.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.354 -1.307 . . . . 0.0 110.32 169.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -153.63 -52.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.945 0 CA-C-N 119.931 1.241 . . . . 0.0 113.55 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.3 70.87 0.2 Allowed Glycine 0 C--N 1.353 1.527 0 CA-C-N 120.642 1.565 . . . . 0.0 109.704 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.57 25.18 73.05 Favored Glycine 0 C--N 1.353 1.514 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.957 -174.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.7 t -147.27 149.21 15.81 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.3 m -137.36 164.72 27.92 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.25 -1.357 . . . . 0.0 107.625 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.61 ' CE1' ' CD1' ' A' ' 14' ' ' TYR . 25.9 t80 -142.32 118.31 10.62 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 115.992 -1.956 . . . . 0.0 106.738 169.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -121.96 160.89 23.91 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.761 1.619 . . . . 0.0 110.167 -175.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -163.87 154.57 15.66 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 116.886 -1.53 . . . . 0.0 108.942 -167.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.0 t -131.5 90.18 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -166.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.4 m -84.33 104.01 14.0 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.926 -1.035 . . . . 0.0 108.376 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -67.73 167.35 13.46 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.454 1.479 . . . . 0.0 111.14 -176.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.9 91.62 3.9 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -173.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.75 -157.6 0.14 Allowed 'General case' 0 C--N 1.351 0.644 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -173.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.702 0 CA-C-N 120.781 1.628 . . . . 0.0 111.067 -179.76 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 55.48 59.91 3.64 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.0 m -158.79 113.36 2.48 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-O 117.607 -1.187 . . . . 0.0 108.433 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.74 177.36 27.99 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 118.011 -1.438 . . . . 0.0 111.34 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -88.88 147.62 24.28 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 118.567 1.183 . . . . 0.0 107.956 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -145.24 173.05 12.29 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 116.872 -1.537 . . . . 0.0 109.131 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -156.87 141.47 16.79 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.757 1.617 . . . . 0.0 110.87 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttp -68.93 105.46 2.39 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.083 -1.437 . . . . 0.0 108.567 -173.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -81.89 -37.79 26.33 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 120.955 1.707 . . . . 0.0 110.47 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 m -155.2 173.47 16.57 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.43 1.014 . . . . 0.0 111.358 -171.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -142.02 172.8 12.19 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 118.129 -0.938 . . . . 0.0 111.1 -175.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -118.48 -74.73 0.6 Allowed 'General case' 0 C--N 1.359 0.996 0 CA-C-O 117.197 -1.382 . . . . 0.0 109.923 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -108.98 20.58 18.26 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 120.479 1.491 . . . . 0.0 112.203 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -44.75 -44.68 9.46 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -57.06 -54.33 47.98 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 119.761 -0.776 . . . . 0.0 111.226 -173.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -69.33 -51.24 38.94 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.056 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -44.16 -39.57 4.42 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 119.209 0.913 . . . . 0.0 111.677 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -49.12 65.58 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.295 0.0 OUTLIER -56.16 -25.68 47.48 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.732 -1.127 . . . . 0.0 110.946 -175.607 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -76.49 -50.52 13.8 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 119.99 1.268 . . . . 0.0 109.207 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.84 -46.96 74.7 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.412 1.46 . . . . 0.0 108.922 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.69 64.13 0.76 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.2 mm -103.36 157.09 5.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 t -71.1 141.18 50.82 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.831 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -54.18 -30.33 49.12 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -77.52 -45.12 26.44 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.32 -36.48 74.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 CA-C-O 117.869 -1.063 . . . . 0.0 108.632 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.4 mt -56.95 -58.01 7.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -58.22 -25.84 62.13 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.513 -1.232 . . . . 0.0 112.404 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -66.31 -68.13 0.39 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 121.066 1.757 . . . . 0.0 109.809 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.69 -38.89 22.6 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.293 0.951 . . . . 0.0 111.255 -170.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -30.63 60.49 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.701 -176.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -101.96 33.42 3.05 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.437 1.017 . . . . 0.0 110.325 171.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -151.46 145.05 24.94 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.694 1.134 . . . . 0.0 111.026 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -89.63 87.26 6.95 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.01 127.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 104.829 -2.286 . . . . 0.0 104.829 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.8 t -86.89 151.81 3.54 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.9 m -140.74 117.83 11.23 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 117.225 -1.369 . . . . 0.0 108.231 -173.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -108.17 157.97 17.84 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.6 t -143.74 149.54 17.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 CA-C-O 117.562 -1.209 . . . . 0.0 109.49 174.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -143.88 88.66 1.99 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.22 89.2 0.19 Allowed 'General case' 0 C--N 1.351 0.65 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -91.86 70.32 5.58 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.4 -159.5 46.7 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.03 -1.081 . . . . 0.0 111.07 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -50.03 -33.55 18.54 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.138 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.72 146.15 30.14 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 120.005 1.275 . . . . 0.0 108.653 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.86 160.2 23.92 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.2 76.85 1.64 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 103.841 -2.651 . . . . 0.0 103.841 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -77.94 155.96 30.54 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 116.729 -1.605 . . . . 0.0 106.759 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -149.89 158.97 44.69 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 119.824 1.193 . . . . 0.0 110.462 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -136.23 81.19 1.87 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -78.7 146.68 33.83 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 117.532 -1.223 . . . . 0.0 109.535 -171.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.523 ' CZ ' ' CD2' ' A' ' 57' ' ' HIS . 4.5 m-30 -97.39 66.49 2.03 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 175.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t 50.19 49.38 20.6 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 123.208 0.317 . . . . 0.0 111.791 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.29 -31.17 5.86 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-O 117.404 -1.776 . . . . 0.0 114.218 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.16 -116.05 0.16 Allowed Glycine 0 C--N 1.354 1.564 0 CA-C-N 120.571 2.185 . . . . 0.0 109.397 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.523 ' CD2' ' CZ ' ' A' ' 53' ' ' TYR . 6.9 t60 -52.21 150.84 4.25 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.65 1.725 . . . . 0.0 109.136 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.426 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 87.2 m -134.57 109.08 8.44 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.572 -1.204 . . . . 0.0 107.828 171.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.1 ttp -85.85 153.82 21.98 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 172.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -135.54 153.03 51.84 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.842 1.656 . . . . 0.0 111.581 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -131.48 71.54 1.48 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -73.33 142.67 47.08 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -160.41 168.91 24.16 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.035 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -124.65 137.24 54.38 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.38 152.75 3.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -170.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.34 24.09 63.14 Favored Glycine 0 C--N 1.351 1.381 0 CA-C-O 117.682 -1.621 . . . . 0.0 109.462 -172.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -145.01 -61.02 0.36 Allowed 'General case' 0 C--N 1.359 0.982 0 CA-C-N 119.158 1.479 . . . . 0.0 110.272 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.282 6.6 pt-20 112.8 154.61 0.0 OUTLIER 'General case' 0 C--N 1.357 0.908 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.4 m -162.95 167.33 22.74 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 117.228 -1.368 . . . . 0.0 108.843 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -74.64 140.91 44.6 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 171.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.9 mt -136.31 140.44 43.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 120.113 1.324 . . . . 0.0 108.133 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -74.84 -39.63 61.49 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.337 0.971 . . . . 0.0 111.509 -168.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.7 p 68.9 162.63 0.22 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 171.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.6 mmt -100.4 26.58 6.49 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 123.911 0.757 . . . . 0.0 109.898 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.27 -152.65 29.54 Favored Glycine 0 C--N 1.355 1.589 0 N-CA-C 107.477 -2.249 . . . . 0.0 107.477 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.39 -35.54 47.37 Favored Glycine 0 C--N 1.35 1.338 0 CA-C-O 118.23 -1.317 . . . . 0.0 111.071 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -145.39 172.55 13.02 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 118.639 1.22 . . . . 0.0 112.556 -170.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.9 m -66.68 143.19 57.12 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.351 -1.309 . . . . 0.0 109.918 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -128.28 178.05 6.52 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -115.74 141.58 47.9 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 171.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -154.8 150.94 28.06 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.048 -1.453 . . . . 0.0 110.48 -169.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.9 m -92.97 102.55 14.9 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.278 0.945 . . . . 0.0 109.0 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.81 145.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -140.96 175.37 9.67 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 174.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.7 mtp -129.15 172.76 11.11 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -133.65 -64.33 0.72 Allowed 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.065 0.853 . . . . 0.0 109.206 170.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.37 -74.6 0.02 OUTLIER Glycine 0 C--N 1.351 1.416 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.54 38.6 3.21 Favored Glycine 0 C--N 1.356 1.662 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -163.92 177.63 8.4 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.412 1.106 . . . . 0.0 110.11 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.1 tp -138.19 160.19 40.07 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 117.632 -1.175 . . . . 0.0 109.172 -172.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.6 t -141.7 145.3 24.56 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-O 116.617 -1.659 . . . . 0.0 110.472 -171.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.1 p -155.67 156.8 4.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 120.502 1.501 . . . . 0.0 110.219 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -149.32 118.45 6.77 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.486 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 10.0 m-85 -108.11 158.56 33.33 Favored Pre-proline 0 C--N 1.356 0.88 0 CA-C-O 115.755 -2.069 . . . . 0.0 106.256 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.04 67.49 5.95 Favored 'Trans proline' 0 C--N 1.358 1.04 0 CA-C-N 123.814 2.398 . . . . 0.0 108.349 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -174.88 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.7 -0.667 . . . . 0.0 109.808 -171.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.486 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 19.8 p90 -151.72 -176.53 5.66 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.412 ' CE1' HG23 ' A' ' 100' ' ' THR . 1.7 t-80 -133.86 154.13 51.26 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 120.152 1.342 . . . . 0.0 107.867 176.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -156.99 152.18 26.29 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.243 0.929 . . . . 0.0 109.676 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.412 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.8 OUTLIER -143.23 121.86 12.54 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.8 m -95.75 163.01 13.36 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-N 121.173 1.806 . . . . 0.0 108.982 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -157.54 98.45 1.67 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-N 119.136 0.88 . . . . 0.0 109.536 -171.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mm -72.56 149.27 8.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.582 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.5 t -133.91 80.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.08 -83.44 0.17 Allowed Glycine 0 C--N 1.354 1.536 0 CA-C-O 118.794 -1.003 . . . . 0.0 110.725 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -134.05 60.79 1.69 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -169.09 138.12 2.08 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 -178.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.39 129.3 55.79 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.14 158.84 30.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -143.79 161.67 38.02 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.317 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.0 p -147.36 104.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -92.72 171.98 8.64 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 117.239 -1.362 . . . . 0.0 108.144 -172.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.6 m -165.14 150.23 9.3 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-N 120.84 1.654 . . . . 0.0 111.324 -171.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 17.1 tt -160.49 -50.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 120.293 1.406 . . . . 0.0 113.695 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -162.05 74.96 0.19 Allowed Glycine 0 C--N 1.356 1.657 0 CA-C-N 121.261 1.846 . . . . 0.0 110.906 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.64 20.93 79.86 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-O 117.885 -1.509 . . . . 0.0 111.382 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 71.7 t -144.78 152.42 15.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.1 m -152.07 131.08 12.59 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.584 -1.674 . . . . 0.0 108.235 -176.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.09 96.74 6.21 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 119.84 1.2 . . . . 0.0 110.111 -173.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.68 153.39 35.18 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.722 -1.133 . . . . 0.0 111.15 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -144.49 175.9 9.78 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 116.98 -1.486 . . . . 0.0 107.982 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.27 78.98 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.723 0 CA-C-N 119.919 1.236 . . . . 0.0 107.922 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.9 m -72.98 98.18 2.45 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -67.72 169.83 8.89 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.289 -1.815 . . . . 0.0 110.145 -175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -105.92 90.45 3.39 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -173.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.64 -153.95 0.19 Allowed 'General case' 0 C--N 1.35 0.625 0 CA-C-O 117.072 -1.442 . . . . 0.0 107.529 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.629 0 CA-C-N 120.791 1.632 . . . . 0.0 110.256 -175.469 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 51.94 64.38 1.87 Allowed 'General case' 0 C--N 1.353 0.732 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.6 m -156.12 113.53 3.24 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.96 -155.95 27.55 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 119.881 -1.152 . . . . 0.0 111.092 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.41 155.5 42.07 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 174.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' THR . 25.4 m-85 -154.92 166.24 34.16 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 116.358 -1.782 . . . . 0.0 110.972 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -145.0 150.58 37.16 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.395 1.907 . . . . 0.0 110.733 167.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.2 ttm -101.65 146.27 27.94 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 116.905 -1.521 . . . . 0.0 109.439 -168.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -160.29 -48.81 0.05 OUTLIER 'General case' 0 C--N 1.357 0.901 0 CA-C-O 117.04 -1.457 . . . . 0.0 114.054 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -69.68 -60.02 2.58 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 122.181 2.264 . . . . 0.0 109.888 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 59.66 173.8 0.08 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.545 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -143.83 -89.03 0.12 Allowed 'General case' 0 C--N 1.358 0.958 0 CA-C-O 117.192 -1.385 . . . . 0.0 110.328 -177.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.84 -17.38 41.14 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.398 1.908 . . . . 0.0 111.544 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' OH ' ' HB3' ' A' ' 31' ' ' ALA . 67.1 t80 2.45 -63.25 0.0 OUTLIER 'General case' 0 C--N 1.354 0.792 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 171.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -53.14 -55.32 24.97 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 119.96 1.255 . . . . 0.0 110.961 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.22 -51.23 64.71 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.032 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -44.91 -38.51 4.7 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 118.607 -1.237 . . . . 0.0 113.266 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.4 mmt -75.11 -37.56 61.45 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 117.896 -1.05 . . . . 0.0 108.401 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -53.37 -36.59 61.57 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.726 1.148 . . . . 0.0 110.276 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -79.39 -39.96 31.27 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.209 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.78 -40.24 66.09 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 171.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.65 57.41 0.74 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mm -105.54 154.88 6.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.8 p -80.9 150.26 29.11 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 120.123 1.328 . . . . 0.0 111.74 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.9 p -62.61 -37.95 88.27 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 118.901 0.773 . . . . 0.0 111.656 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.52 -32.38 73.3 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.713 -1.137 . . . . 0.0 111.164 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 m -90.61 -31.05 4.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.157 -1.401 . . . . 0.0 110.742 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.3 mt -54.38 -62.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-N 121.132 1.787 . . . . 0.0 106.824 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -46.97 -40.33 14.18 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.15 0.886 . . . . 0.0 111.368 -175.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -68.8 -52.12 33.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.201 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB3' ' OH ' ' A' ' 14' ' ' TYR . . . -46.58 -34.14 4.7 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-O 116.927 -1.511 . . . . 0.0 112.377 -175.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -33.47 13.47 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.274 1.397 . . . . 0.0 111.418 177.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -59.26 -53.61 56.35 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.9 1.682 . . . . 0.0 107.823 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -82.51 156.29 24.1 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -91.94 99.77 12.55 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -172.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -58.86 133.42 24.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -91.02 151.61 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' PHE . 5.6 m -134.66 134.73 41.47 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' CD ' ' C ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -133.34 160.76 36.4 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 174.34 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 t -144.32 144.97 22.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 CA-C-O 117.825 -1.083 . . . . 0.0 110.138 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -139.46 85.96 2.09 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -62.5 149.82 41.87 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -146.55 69.04 1.18 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -172.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.78 -159.6 53.24 Favored Glycine 0 C--N 1.352 1.438 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -173.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -48.01 -35.11 10.42 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.058 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.33 146.49 36.72 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 119.765 1.166 . . . . 0.0 110.783 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -121.84 162.45 20.91 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.39 72.91 1.45 Allowed 'General case' 0 C--N 1.357 0.919 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -80.82 162.26 24.1 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 117.625 -1.179 . . . . 0.0 108.275 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -152.55 156.05 38.6 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.746 1.157 . . . . 0.0 110.831 165.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -129.69 95.99 4.13 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -85.25 128.45 34.69 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.921 -1.514 . . . . 0.0 108.019 -173.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -82.13 -88.59 0.08 Allowed 'General case' 0 C--N 1.353 0.73 0 CA-C-N 120.08 1.309 . . . . 0.0 107.523 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 m -170.98 -62.33 0.02 OUTLIER 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.98 1.264 . . . . 0.0 109.839 -176.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.26 -64.8 2.32 Favored Glycine 0 C--N 1.355 1.63 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.36 60.55 0.2 Allowed Glycine 0 C--N 1.354 1.535 0 C-N-CA 119.713 -1.232 . . . . 0.0 112.023 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -144.86 72.98 1.35 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.4 m -77.07 95.99 4.33 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.65 158.38 29.76 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.53 153.55 43.69 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 121.029 1.741 . . . . 0.0 112.339 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -127.38 69.75 1.3 Allowed 'General case' 0 C--N 1.359 1.011 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -77.48 148.16 35.51 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -169.37 168.92 9.32 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.542 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -128.89 129.96 46.2 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.82 148.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -166.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.27 16.96 55.25 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-O 116.101 -2.499 . . . . 0.0 111.647 -172.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -144.45 14.29 1.6 Allowed 'General case' 0 C--N 1.361 1.09 0 CA-C-N 121.458 2.629 . . . . 0.0 116.627 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 59.88 140.76 0.01 OUTLIER 'General case' 0 C--N 1.351 0.656 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 m -168.0 156.95 9.38 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.33 -1.319 . . . . 0.0 109.043 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -78.64 143.85 35.98 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.6 mt -138.71 144.2 30.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-O 117.604 -1.188 . . . . 0.0 108.725 -175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -83.56 -32.69 25.68 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.656 1.117 . . . . 0.0 111.646 -173.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.7 p 78.62 -94.88 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.766 0 O-C-N 123.727 0.642 . . . . 0.0 111.275 168.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -104.36 -54.99 2.43 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -175.99 -95.35 0.1 OUTLIER Glycine 0 C--N 1.353 1.513 0 C-N-CA 119.39 -1.386 . . . . 0.0 110.767 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.75 -14.72 79.73 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-O 117.633 -1.648 . . . . 0.0 111.486 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -91.99 59.16 3.54 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.758 1.779 . . . . 0.0 109.21 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 14.9 t -65.64 156.25 33.43 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.324 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 78' ' ' THR . 1.6 m-85 -149.05 172.95 13.93 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 169.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -107.61 150.91 26.32 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.677 -1.154 . . . . 0.0 107.913 172.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -158.27 170.91 21.2 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.42 -1.276 . . . . 0.0 111.36 -171.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 m -112.08 100.85 9.18 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.79 145.03 12.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 105.971 -1.862 . . . . 0.0 105.971 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -136.42 -178.08 5.0 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 171.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -129.24 170.81 13.12 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -150.61 57.94 0.93 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.347 170.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.62 -103.59 3.05 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 117.609 -1.662 . . . . 0.0 109.739 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.53 42.15 1.98 Allowed Glycine 0 C--N 1.356 1.645 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -161.47 155.75 22.6 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.094 -0.955 . . . . 0.0 108.765 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.1 tp -117.64 152.19 35.7 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.214 -171.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.3 t -133.58 145.81 32.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.016 -1.468 . . . . 0.0 109.934 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.2 p -155.35 157.7 3.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 120.45 1.477 . . . . 0.0 110.126 170.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -147.48 125.19 11.83 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 34.1 m-85 -111.04 161.02 26.78 Favored Pre-proline 0 C--N 1.354 0.784 0 CA-C-O 115.793 -2.051 . . . . 0.0 106.189 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -78.57 61.39 7.93 Favored 'Trans proline' 0 C--N 1.358 1.064 0 CA-C-N 124.212 2.54 . . . . 0.0 109.273 173.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -170.23 -66.45 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -174.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.557 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 5.3 p90 -127.06 -174.58 3.19 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.36 155.85 45.89 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.71 157.05 34.44 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.962 1.255 . . . . 0.0 109.881 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 p -145.86 103.58 3.78 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.3 m -81.31 163.46 22.9 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -159.14 112.95 2.34 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.697 -1.144 . . . . 0.0 109.888 -169.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -81.27 149.01 5.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 119.682 1.128 . . . . 0.0 108.445 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.41 76.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.63 -85.74 0.75 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -136.92 58.11 1.74 Allowed 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -169.14 138.05 2.05 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 116.894 -1.526 . . . . 0.0 107.141 -172.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.2 tp -104.61 134.64 47.44 Favored 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 m -135.99 160.87 38.67 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 175.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -149.5 171.33 16.78 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.761 -1.114 . . . . 0.0 109.836 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.3 110.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.0 p -80.62 -179.52 7.26 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.077 -177.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.7 m -165.08 148.48 8.44 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.194 -1.384 . . . . 0.0 111.151 171.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -156.15 67.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.868 0 CA-C-N 119.939 1.245 . . . . 0.0 110.595 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 55.53 29.31 53.47 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-O 117.779 -1.567 . . . . 0.0 113.198 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.67 -54.0 0.38 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.8 1.8 . . . . 0.0 111.57 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.88 155.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.1 m -145.32 145.11 31.09 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 115.81 -2.043 . . . . 0.0 106.501 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -132.66 105.81 7.41 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.626 1.557 . . . . 0.0 109.511 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -88.77 162.25 16.33 Favored 'General case' 0 C--N 1.361 1.099 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.342 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -160.0 173.67 15.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 117.648 -1.168 . . . . 0.0 109.422 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.82 81.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 -174.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.1 m -78.25 108.53 11.65 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -71.37 170.0 14.11 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 120.383 1.447 . . . . 0.0 110.113 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -105.22 83.02 1.91 Allowed 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.187 0.93 . . . . 0.0 108.566 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.61 -156.21 0.35 Allowed 'General case' 0 C--N 1.35 0.59 0 CA-C-O 116.539 -1.696 . . . . 0.0 106.731 -174.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.695 0 CA-C-N 120.971 1.714 . . . . 0.0 109.803 179.653 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 58.09 67.87 0.9 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 m -158.1 116.43 3.07 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.524 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.83 -173.49 35.14 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-N 120.509 1.504 . . . . 0.0 111.954 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -110.73 143.03 41.86 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -147.58 169.06 20.42 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.394 -1.289 . . . . 0.0 110.804 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.24 144.98 21.4 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.045 1.293 . . . . 0.0 110.704 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mtt -70.96 85.38 0.7 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 119.082 0.855 . . . . 0.0 109.687 -172.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -53.75 -46.65 70.95 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.434 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.5 t -146.57 160.77 41.72 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.256 -0.878 . . . . 0.0 109.996 -174.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -131.25 163.78 27.03 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.365 -1.302 . . . . 0.0 109.208 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -119.39 -59.91 1.78 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.983 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -123.28 43.58 2.91 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.507 1.049 . . . . 0.0 109.365 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 1.1 t80 -67.72 -47.14 70.2 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.492 -0.766 . . . . 0.0 112.975 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -62.4 -66.04 0.6 Allowed 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.749 1.159 . . . . 0.0 111.144 -169.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.21 -39.6 60.41 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.634 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -53.06 -48.52 67.63 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.948 1.249 . . . . 0.0 111.424 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -42.31 95.75 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -58.0 -40.96 82.03 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.271 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.57 -50.72 9.62 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.507 1.048 . . . . 0.0 108.755 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.0 tp -41.96 -40.86 2.32 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.945 -0.55 . . . . 0.0 109.942 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.4 65.65 0.64 Allowed Glycine 0 C--N 1.355 1.588 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 171.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.7 mm -121.96 159.81 24.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.992 -1.004 . . . . 0.0 108.695 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -83.69 132.06 34.89 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.711 -1.137 . . . . 0.0 112.518 -171.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.9 p -47.32 -36.11 8.93 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.497 1.044 . . . . 0.0 112.651 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -57.59 -51.93 67.5 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.197 0.908 . . . . 0.0 109.294 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -78.08 -26.33 14.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 117.488 -1.244 . . . . 0.0 110.657 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.04 -54.61 31.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -58.08 -34.48 70.18 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.401 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 34' ' ' PHE . 51.7 mtmt -70.81 -67.41 0.51 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 177.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.67 -29.51 0.3 Allowed 'General case' 0 C--N 1.349 0.554 0 CA-C-N 119.843 1.201 . . . . 0.0 112.865 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -69.81 -61.81 1.63 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 119.826 1.194 . . . . 0.0 109.387 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -76.32 -49.97 15.51 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -174.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LYS . 84.0 t80 -53.86 114.4 1.56 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 175.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -76.94 138.0 39.41 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.1 mt -101.17 147.89 7.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.9 t -104.22 156.06 5.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 m -136.14 131.1 34.27 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 117.53 -1.224 . . . . 0.0 108.389 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -124.5 148.51 47.68 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.69 142.03 29.04 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.405 -1.283 . . . . 0.0 109.868 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -139.19 81.6 1.85 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 171.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.48 146.02 52.69 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.493 -1.241 . . . . 0.0 109.578 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -113.16 -61.31 1.76 Allowed 'General case' 0 C--N 1.358 0.972 0 CA-C-N 119.131 0.878 . . . . 0.0 111.202 -173.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.88 69.47 0.04 OUTLIER Glycine 0 C--N 1.355 1.597 0 CA-C-N 119.773 1.17 . . . . 0.0 110.713 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 96.09 -50.78 0.01 OUTLIER 'General case' 0 C--N 1.352 0.693 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 -170.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -77.69 152.92 33.49 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 170.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 9.7 m-85 -128.07 163.45 24.56 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -134.27 65.25 1.58 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -69.01 164.47 22.29 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.8 m -155.33 159.22 39.79 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.547 164.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -152.0 144.28 24.0 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 116.946 -1.502 . . . . 0.0 107.803 173.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -126.31 140.08 52.8 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 117.332 -1.318 . . . . 0.0 111.714 -161.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -161.83 166.99 25.59 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.1 t 53.03 41.02 32.14 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-O 118.656 -0.687 . . . . 0.0 111.456 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 34.03 50.86 0.65 Allowed Glycine 0 C--N 1.357 1.699 0 CA-C-O 119.16 -0.8 . . . . 0.0 113.244 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.84 -51.45 0.35 Allowed Glycine 0 C--N 1.352 1.422 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.877 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -64.95 92.05 0.1 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.7 m -93.03 105.25 17.38 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 169.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 ttp -79.98 158.51 26.55 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 172.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.06 154.26 49.28 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 117.511 -1.233 . . . . 0.0 110.195 172.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -134.81 72.27 1.45 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -70.96 150.28 45.84 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 171.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 14.0 p90 -165.68 164.34 19.02 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.129 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.6 m -119.3 134.02 55.43 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.5 m -91.73 145.89 6.96 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 -171.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.34 19.57 76.12 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 117.205 -1.886 . . . . 0.0 109.826 -172.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -141.71 -64.3 0.44 Allowed 'General case' 0 C--N 1.36 1.033 0 CA-C-N 119.826 1.813 . . . . 0.0 110.697 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.259 8.5 pt-20 118.74 157.73 0.0 OUTLIER 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.886 1.274 . . . . 0.0 108.506 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.9 m -156.57 165.44 36.28 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.602 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -77.55 85.41 3.91 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.5 mt -84.98 133.36 29.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 -173.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -86.5 -19.03 30.13 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 116.573 -1.679 . . . . 0.0 112.519 -171.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 75' ' ' GLY . 66.7 p 61.36 172.61 0.11 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 121.112 1.778 . . . . 0.0 112.686 169.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 1.3 -63.05 0.0 OUTLIER 'General case' 0 C--N 1.357 0.924 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 73' ' ' THR . . . 174.2 -83.38 0.08 OUTLIER Glycine 0 C--N 1.354 1.561 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.66 -33.49 84.56 Favored Glycine 0 C--N 1.353 1.526 0 N-CA-C 109.926 -1.269 . . . . 0.0 109.926 175.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -64.39 162.9 14.15 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.44 -1.266 . . . . 0.0 108.473 177.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.449 ' C ' ' CG ' ' A' ' 79' ' ' PHE . 15.3 t -169.36 149.8 4.14 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 119.599 1.09 . . . . 0.0 110.117 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CG ' ' C ' ' A' ' 78' ' ' THR . 0.2 OUTLIER -164.46 176.68 8.8 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 118.924 0.783 . . . . 0.0 110.507 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -108.62 139.16 43.79 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.64 143.9 20.09 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 116.873 -1.537 . . . . 0.0 110.684 -163.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -94.89 107.45 19.48 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.474 -1.251 . . . . 0.0 111.26 -172.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.5 t -82.73 146.34 7.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 175.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -141.77 -171.53 3.36 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.1 ttm -143.93 149.29 36.6 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.316 -174.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -128.77 76.13 1.69 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 171.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.06 -111.65 4.32 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 117.6 -1.666 . . . . 0.0 109.742 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.87 36.46 3.88 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-N 119.468 1.634 . . . . 0.0 110.931 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -144.75 152.79 40.91 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.727 -1.606 . . . . 0.0 107.336 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tp -117.68 152.01 36.09 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.34 1.427 . . . . 0.0 110.566 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.1 t -130.44 145.66 35.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 CA-C-O 116.741 -1.599 . . . . 0.0 110.105 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -154.65 157.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.518 1.508 . . . . 0.0 110.208 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -142.97 128.85 19.45 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.856 -1.068 . . . . 0.0 108.321 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -104.06 160.86 24.71 Favored Pre-proline 0 C--N 1.354 0.792 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -76.49 55.13 4.61 Favored 'Trans proline' 0 C--N 1.355 0.896 0 CA-C-N 124.169 2.525 . . . . 0.0 110.619 173.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -168.49 -71.98 0.02 OUTLIER 'General case' 0 C--N 1.356 0.89 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -174.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -111.1 178.33 4.38 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.401 ' CE1' HG23 ' A' ' 100' ' ' THR . 0.7 OUTLIER -135.57 156.91 48.12 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 176.183 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -153.99 153.5 32.09 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.706 1.139 . . . . 0.0 109.329 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.401 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.6 OUTLIER -139.01 103.36 4.76 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 178.685 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.3 m -77.31 164.0 25.94 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -158.03 129.98 6.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.07 -1.443 . . . . 0.0 111.517 -174.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.11 147.83 7.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 119.838 1.199 . . . . 0.0 108.075 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.7 t -139.64 77.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.25 -79.65 0.89 Allowed Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.03 58.89 1.63 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -169.4 143.7 2.9 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 116.703 -1.617 . . . . 0.0 108.163 -174.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.5 tp -111.42 137.83 48.7 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 104.077 -2.564 . . . . 0.0 104.077 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.27 150.29 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -138.63 165.25 27.39 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.265 -1.35 . . . . 0.0 108.446 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -148.11 98.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.36 175.91 8.68 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.812 -1.089 . . . . 0.0 108.081 -176.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.4 m -164.76 144.93 7.42 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-O 116.361 -1.78 . . . . 0.0 111.267 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.7 tt -155.96 65.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-N 121.028 1.74 . . . . 0.0 110.957 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 48.9 44.8 31.93 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-O 118.598 -1.112 . . . . 0.0 112.358 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 154.13 -45.34 0.56 Allowed Glycine 0 C--N 1.354 1.549 0 CA-C-O 118.491 -1.172 . . . . 0.0 112.365 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.5 t -119.33 158.23 20.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.18 -174.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.4 m -130.93 171.41 13.22 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.418 -1.277 . . . . 0.0 108.132 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -144.25 91.74 2.24 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.096 1.316 . . . . 0.0 108.422 167.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -83.2 151.89 25.47 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-O 118.026 -0.988 . . . . 0.0 111.102 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.57 169.18 23.29 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-O 118.161 -0.923 . . . . 0.0 108.731 -174.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.14 79.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.4 m -70.36 89.43 0.67 Allowed 'General case' 0 C--N 1.353 0.742 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -69.44 171.84 8.11 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 115.756 -2.068 . . . . 0.0 108.568 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.417 ' CZ ' ' O ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -107.65 105.52 15.43 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.47 1.941 . . . . 0.0 106.449 -173.173 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 126' ' ' LEU . 0.6 OUTLIER -175.12 -155.4 0.05 Allowed 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.669 -1.634 . . . . 0.0 106.814 -169.333 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.686 0 CA-C-N 121.085 1.766 . . . . 0.0 110.752 176.37 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -62.32 75.54 0.02 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-N 118.372 0.533 . . . . 0.0 111.637 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.1 m -164.95 115.53 1.14 Allowed 'General case' 0 C--N 1.349 0.587 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.45 172.54 24.76 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 120.079 1.309 . . . . 0.0 111.101 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 6' ' ' PHE . 15.4 ptmt -88.31 159.73 17.95 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 55.0 m-85 -160.68 170.9 19.86 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 116.775 -1.584 . . . . 0.0 110.931 177.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -153.35 147.57 25.75 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.937 1.699 . . . . 0.0 111.676 167.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 ttp -64.18 145.67 55.57 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.03 -60.96 0.16 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.034 1.288 . . . . 0.0 109.705 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 m -86.35 161.66 18.59 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 171.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -170.5 146.52 2.79 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 116.825 -1.56 . . . . 0.0 106.819 -172.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -159.93 158.77 31.37 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.99 1.723 . . . . 0.0 111.109 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 49.48 27.02 1.87 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.847 1.203 . . . . 0.0 112.229 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -42.15 11.46 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 118.574 0.625 . . . . 0.0 110.406 -173.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -52.77 -56.16 17.65 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.775 0.716 . . . . 0.0 110.3 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.42 -49.13 76.7 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.029 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -46.15 -38.57 8.38 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 119.923 1.238 . . . . 0.0 111.404 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 41.8 mtt -78.5 -34.86 47.15 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.78 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -64.14 -38.83 92.46 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.728 1.149 . . . . 0.0 108.766 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.3 -50.52 53.01 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.553 1.069 . . . . 0.0 108.356 175.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 tp -53.92 -40.1 66.43 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.944 -173.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.97 73.77 0.83 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.7 mm -133.8 158.97 42.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 117.741 -1.123 . . . . 0.0 108.942 -173.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 t -91.21 140.64 29.61 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 119.3 0.955 . . . . 0.0 111.656 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.7 p -51.7 -36.33 46.25 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -170.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -61.09 -47.5 86.04 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.003 1.274 . . . . 0.0 108.965 -176.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -75.77 -22.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 CA-C-O 117.266 -1.35 . . . . 0.0 111.178 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.65 -57.89 9.79 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 121.195 1.816 . . . . 0.0 106.44 171.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -56.94 -33.19 66.76 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.491 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -66.34 -51.87 52.87 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.2 -44.4 0.86 Allowed 'General case' 0 C--N 1.355 0.836 0 O-C-N 123.224 0.327 . . . . 0.0 111.804 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -67.95 -48.39 66.01 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.981 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -92.11 47.43 1.33 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.029 0.831 . . . . 0.0 110.015 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -152.19 116.6 5.01 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.609 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -87.86 75.06 8.93 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 mm -44.89 128.67 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-O 116.843 -1.551 . . . . 0.0 107.12 176.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.1 t -85.53 154.14 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.919 0 N-CA-C 105.512 -2.033 . . . . 0.0 105.512 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 m -142.88 136.72 28.94 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -136.42 145.65 45.52 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t -139.51 147.39 24.27 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.662 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -144.62 93.71 2.45 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -63.7 147.7 50.97 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -143.96 66.59 1.28 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -170.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.88 -159.12 53.36 Favored Glycine 0 C--N 1.352 1.444 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 -172.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -49.75 -34.64 19.72 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.773 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.92 151.25 33.85 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.899 1.227 . . . . 0.0 110.838 174.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -127.52 164.49 21.84 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.62 83.72 2.0 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 172.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 -84.19 166.81 17.26 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.726 -1.13 . . . . 0.0 109.06 -174.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 m -153.18 153.63 33.12 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.86 166.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -133.38 84.95 2.17 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -79.59 152.4 30.09 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.309 -168.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.404 ' CE2' ' CE1' ' A' ' 57' ' ' HIS . 2.7 m-85 -98.76 -69.06 0.77 Allowed 'General case' 0 C--N 1.354 0.763 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 t -160.5 53.84 0.32 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.84 52.8 50.13 Favored Glycine 0 C--N 1.353 1.516 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.94 -79.43 0.04 OUTLIER Glycine 0 C--N 1.354 1.581 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.404 ' CE1' ' CE2' ' A' ' 53' ' ' TYR . 3.4 t-160 -78.27 75.79 4.79 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 105.167 -2.16 . . . . 0.0 105.167 172.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 m -80.46 103.61 10.44 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 172.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 ttp -82.23 150.97 27.05 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.19 150.52 35.07 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 121.371 1.896 . . . . 0.0 112.894 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -132.11 75.26 1.63 Allowed 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.127 0.892 . . . . 0.0 108.968 -175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -74.5 149.68 40.17 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -167.13 169.35 12.81 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.129 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -128.94 132.77 47.66 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.42 147.66 5.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -165.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.41 10.15 56.67 Favored Glycine 0 C--N 1.351 1.398 0 CA-C-O 116.195 -2.447 . . . . 0.0 111.562 -172.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -137.36 1.11 2.37 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 120.992 2.396 . . . . 0.0 116.112 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 63.28 138.49 0.02 OUTLIER 'General case' 0 C--N 1.351 0.646 0 CA-C-N 120.823 1.647 . . . . 0.0 114.29 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.4 m -165.12 157.06 15.29 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.142 -1.409 . . . . 0.0 108.347 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -75.2 144.1 42.84 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.286 1.403 . . . . 0.0 108.04 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -139.93 144.96 27.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.168 -1.396 . . . . 0.0 107.366 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -89.37 -32.84 17.11 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.217 -1.373 . . . . 0.0 111.457 -172.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 p 74.78 166.27 0.29 Allowed 'General case' 0 CA--C 1.503 -0.837 0 CA-C-N 119.593 1.088 . . . . 0.0 110.721 172.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 74.3 mmm -67.07 -32.34 73.45 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.385 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.49 160.76 32.05 Favored Glycine 0 C--N 1.354 1.562 0 N-CA-C 108.909 -1.676 . . . . 0.0 108.909 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.11 -53.39 7.01 Favored Glycine 0 C--N 1.347 1.161 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.5 150.13 3.88 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 118.633 -0.699 . . . . 0.0 110.54 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.5 m -91.83 155.46 18.2 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -138.82 179.92 6.2 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.727 0.694 . . . . 0.0 109.453 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -134.08 148.32 51.01 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -156.36 162.92 40.02 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 117.163 -1.398 . . . . 0.0 110.324 -172.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.2 m -101.47 96.65 7.28 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.22 144.38 13.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 105.442 -2.058 . . . . 0.0 105.442 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -139.73 176.7 8.51 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 173.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.1 mtp -132.14 170.7 14.63 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -160.53 70.77 0.42 Allowed 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.114 0.884 . . . . 0.0 111.008 169.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.08 -110.24 3.8 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-O 117.464 -1.742 . . . . 0.0 108.877 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.74 42.03 2.04 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 108.624 -1.791 . . . . 0.0 108.624 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.34 152.55 32.22 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.023 0.912 . . . . 0.0 108.867 -176.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.7 tp -123.32 154.58 38.7 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.41 -168.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.0 t -138.49 143.55 32.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-O 116.505 -1.712 . . . . 0.0 109.965 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.18 156.03 5.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 120.855 1.661 . . . . 0.0 110.423 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -149.37 118.53 6.78 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.82 -1.086 . . . . 0.0 108.407 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.515 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 17.9 m-85 -107.26 158.02 34.11 Favored Pre-proline 0 C--N 1.357 0.903 0 CA-C-O 115.784 -2.055 . . . . 0.0 106.04 -177.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.1 71.03 5.21 Favored 'Trans proline' 0 C--N 1.358 1.046 0 CA-C-N 123.825 2.402 . . . . 0.0 107.547 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 178.06 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.344 -170.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.515 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 10.2 p90 -155.53 -178.54 7.35 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.472 ' CE1' HG23 ' A' ' 100' ' ' THR . 1.3 t-80 -136.6 155.23 50.2 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 176.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.55 150.93 27.0 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.959 -1.02 . . . . 0.0 108.713 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.472 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -140.32 110.53 6.6 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 178.331 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 t -84.59 163.88 19.04 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 120.166 1.348 . . . . 0.0 108.429 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -159.97 100.42 1.41 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.531 1.06 . . . . 0.0 110.082 -170.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.55 145.99 13.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 CA-C-O 117.778 -1.106 . . . . 0.0 110.33 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.25 82.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.961 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 62.31 -85.9 0.04 OUTLIER Glycine 0 C--N 1.355 1.597 0 CA-C-O 118.69 -1.061 . . . . 0.0 110.456 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.51 55.96 1.66 Allowed 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.98 171.16 18.77 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tp -140.65 117.57 11.11 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 104.87 -2.271 . . . . 0.0 104.87 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.47 160.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 120.621 1.555 . . . . 0.0 108.985 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -139.2 157.26 46.24 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.313 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.6 t -135.31 95.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.77 172.39 13.18 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.4 m -165.97 150.98 8.45 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 116.331 -1.795 . . . . 0.0 110.552 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.7 tt -159.32 -52.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.822 0 CA-C-N 120.895 1.68 . . . . 0.0 114.368 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.41 69.8 0.23 Allowed Glycine 0 C--N 1.353 1.503 0 CA-C-N 120.826 1.648 . . . . 0.0 109.885 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.37 26.89 72.49 Favored Glycine 0 C--N 1.353 1.476 0 CA-C-O 118.165 -1.353 . . . . 0.0 110.482 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.5 t -147.42 149.56 15.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -139.28 164.36 30.04 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.442 -1.266 . . . . 0.0 107.994 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -133.5 94.95 3.4 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 168.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -78.52 147.03 34.0 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.261 0.937 . . . . 0.0 109.374 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -153.91 152.31 30.46 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 116.257 -1.83 . . . . 0.0 108.109 -171.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 16.1 t -136.8 83.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.813 0 CA-C-N 120.235 1.38 . . . . 0.0 108.631 -168.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 m -72.2 109.41 5.94 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.43 176.89 2.12 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 116.784 -1.579 . . . . 0.0 110.017 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -106.85 72.69 0.91 Allowed 'General case' 0 C--N 1.36 1.044 0 CA-C-N 120.173 1.351 . . . . 0.0 111.427 -169.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.55 -158.99 0.14 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.641 0 CA-C-N 120.83 1.65 . . . . 0.0 109.721 174.573 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -64.75 75.25 0.04 OUTLIER 'General case' 0 C--N 1.354 0.764 0 CA-C-N 118.25 0.477 . . . . 0.0 110.377 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -164.34 119.02 1.45 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.122 -1.418 . . . . 0.0 107.326 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.3 -178.47 27.74 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 120.38 1.445 . . . . 0.0 110.972 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -99.59 145.33 27.67 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -144.86 163.62 33.54 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 116.505 -1.712 . . . . 0.0 108.888 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -144.79 132.86 21.48 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.752 1.614 . . . . 0.0 109.429 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttp -52.88 130.22 32.61 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.753 -1.594 . . . . 0.0 107.87 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -106.88 -52.61 2.74 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.299 1.409 . . . . 0.0 109.133 172.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.7 p -135.63 166.46 23.19 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.305 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -132.06 171.94 13.0 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -156.07 133.63 10.95 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.87 -1.538 . . . . 0.0 108.022 174.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 61.0 14.23 5.17 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.131 1.332 . . . . 0.0 113.995 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 2.9 p90 -71.98 -40.68 68.43 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.536 1.516 . . . . 0.0 110.372 177.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 8.2 t0 -60.6 -49.45 77.48 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 120.075 -0.65 . . . . 0.0 109.257 -170.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.69 -47.08 85.18 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.934 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -52.31 -39.05 60.08 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 118.957 -1.097 . . . . 0.0 111.048 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -42.55 76.49 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -62.82 -32.12 73.26 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.036 -174.753 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -77.87 -54.51 6.23 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 119.793 1.179 . . . . 0.0 108.76 171.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.4 tp -50.41 -41.16 51.92 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.587 -169.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.78 70.62 0.62 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -132.78 160.99 42.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.907 -172.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -80.06 156.91 26.88 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.29 0.95 . . . . 0.0 113.542 -170.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.7 p -61.15 -43.6 98.63 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 119.198 -0.429 . . . . 0.0 110.497 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.17 -52.23 61.83 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.049 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 m -74.73 -33.36 30.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.874 -174.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.9 mt -51.52 -53.91 14.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-N 119.907 1.231 . . . . 0.0 108.815 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -58.63 -34.33 71.06 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 119.501 -0.88 . . . . 0.0 110.509 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.77 -51.41 22.83 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.14 -0.933 . . . . 0.0 109.496 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.26 -46.16 1.49 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.846 0.748 . . . . 0.0 110.319 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -62.13 -58.99 5.74 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.479 -0.772 . . . . 0.0 109.041 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -100.81 53.0 0.86 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.332 0.515 . . . . 0.0 111.073 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.25 115.18 6.09 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.413 -1.279 . . . . 0.0 109.166 174.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -71.47 78.88 0.78 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.056 1.298 . . . . 0.0 108.087 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.1 mm -51.28 145.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 117.837 -1.078 . . . . 0.0 108.115 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -98.51 153.71 4.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.2 m -143.84 143.76 31.46 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -141.05 146.69 37.51 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.85 150.28 19.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-N 119.954 1.252 . . . . 0.0 111.646 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -144.84 106.38 4.24 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 171.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -82.65 87.47 6.73 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -81.33 70.42 8.18 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.52 -155.82 52.47 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 119.968 -1.11 . . . . 0.0 111.701 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -48.32 -32.87 7.99 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.654 -1.165 . . . . 0.0 110.751 176.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -84.07 150.88 25.29 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.217 1.371 . . . . 0.0 109.079 174.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -124.78 162.99 23.09 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.21 79.53 1.81 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 174.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -88.09 161.63 17.22 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 117.769 -1.11 . . . . 0.0 108.879 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.0 m -152.66 152.3 31.59 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 117.364 -1.303 . . . . 0.0 111.295 165.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -126.83 83.28 2.15 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -76.02 146.01 39.79 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 117.697 -1.144 . . . . 0.0 109.125 -169.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.415 ' CE2' ' ND1' ' A' ' 57' ' ' HIS . 4.5 m-30 -98.17 52.46 1.05 Allowed 'General case' 0 C--N 1.353 0.758 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 174.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.3 t 35.94 44.06 0.23 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 119.209 -0.424 . . . . 0.0 111.512 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.98 -165.01 37.19 Favored Glycine 0 C--N 1.355 1.598 0 C-N-CA 119.272 -1.442 . . . . 0.0 113.488 -174.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.35 -43.63 84.74 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.046 -1.419 . . . . 0.0 113.214 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.415 ' ND1' ' CE2' ' A' ' 53' ' ' TYR . 48.9 t-80 -66.18 88.81 0.12 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.282 1.541 . . . . 0.0 107.047 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.8 m -94.28 102.68 14.69 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 170.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.1 ttp -77.78 151.27 34.11 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 104.112 -2.551 . . . . 0.0 104.112 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.84 154.22 39.19 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.648 2.022 . . . . 0.0 113.854 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -128.29 70.93 1.37 Allowed 'General case' 0 C--N 1.36 1.056 0 O-C-N 123.955 0.784 . . . . 0.0 109.629 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -74.23 146.25 43.45 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 169.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -171.22 169.79 6.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.442 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.3 m -126.14 138.21 53.65 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.36 153.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -168.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.34 22.32 58.45 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-O 117.405 -1.775 . . . . 0.0 109.779 -171.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -141.05 -64.13 0.46 Allowed 'General case' 0 C--N 1.359 1.009 0 CA-C-N 119.471 1.636 . . . . 0.0 109.995 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.25 10.9 pt-20 119.03 155.31 0.0 OUTLIER 'General case' 0 C--N 1.359 0.986 0 C-N-CA 124.714 1.206 . . . . 0.0 107.785 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -163.02 166.05 24.14 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.984 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -77.81 139.66 39.34 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 170.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.1 mt -135.26 142.07 40.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 120.085 1.312 . . . . 0.0 107.657 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -75.42 -41.05 56.97 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.036 1.289 . . . . 0.0 111.866 -171.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 p 66.37 162.06 0.16 Allowed 'General case' 0 C--N 1.35 0.59 0 O-C-N 124.139 0.899 . . . . 0.0 112.616 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 74' ' ' MET . 0.0 OUTLIER 8.9 -76.01 0.0 OUTLIER 'General case' 0 C--N 1.358 0.964 0 O-C-N 125.234 1.584 . . . . 0.0 115.132 -174.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.54 -81.54 0.57 Allowed Glycine 0 C--N 1.355 1.607 0 N-CA-C 107.374 -2.29 . . . . 0.0 107.374 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.67 43.2 1.1 Allowed Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -99.04 61.63 1.26 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -57.23 157.27 6.42 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.606 -0.838 . . . . 0.0 112.481 -169.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -158.43 170.78 21.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.682 -1.151 . . . . 0.0 107.932 171.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -102.8 136.49 42.53 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 170.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -144.99 158.87 43.68 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 116.532 -1.699 . . . . 0.0 108.824 -173.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.3 m -102.43 103.32 13.7 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.821 1.191 . . . . 0.0 108.211 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -76.56 146.5 8.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -139.69 177.91 7.61 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -133.21 168.35 18.7 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 118.405 0.548 . . . . 0.0 110.097 -173.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.5 67.71 1.22 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.443 1.089 . . . . 0.0 108.494 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.82 -90.05 0.77 Allowed Glycine 0 C--N 1.354 1.541 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.545 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -122.54 41.77 1.76 Allowed Glycine 0 C--N 1.355 1.634 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.06 154.56 37.23 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.851 -1.547 . . . . 0.0 107.409 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 tp -126.51 153.45 45.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.403 1.456 . . . . 0.0 112.259 -166.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.4 t -139.33 145.02 27.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.638 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 p -155.54 157.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 120.368 1.44 . . . . 0.0 110.358 171.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -148.57 120.0 7.92 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.458 -1.258 . . . . 0.0 107.747 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.449 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 15.8 m-85 -107.41 157.81 34.73 Favored Pre-proline 0 C--N 1.357 0.921 0 CA-C-O 115.917 -1.992 . . . . 0.0 106.575 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.39 73.51 2.74 Favored 'Trans proline' 0 C--N 1.358 1.037 0 CA-C-N 123.381 2.243 . . . . 0.0 107.672 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 177.07 -50.46 0.01 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.559 -174.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.449 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 7.4 p90 -152.89 179.88 8.26 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.233 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -132.25 153.99 50.09 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 119.659 1.118 . . . . 0.0 108.011 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.18 151.44 19.42 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 118.228 -0.892 . . . . 0.0 109.73 -174.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.78 110.69 4.78 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -172.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -90.32 164.89 14.18 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.273 1.397 . . . . 0.0 108.47 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -154.86 131.58 10.68 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.363 -1.303 . . . . 0.0 109.924 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 mm -93.32 147.74 5.25 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.1 t -137.18 75.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.05 -85.32 0.8 Allowed Glycine 0 C--N 1.354 1.574 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -135.05 60.56 1.7 Allowed 'General case' 0 C--N 1.353 0.735 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -168.82 142.58 3.01 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.102 -1.428 . . . . 0.0 107.401 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.2 tp -114.44 137.58 51.66 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.49 168.85 23.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 119.791 1.178 . . . . 0.0 108.83 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -153.46 151.97 30.46 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.586 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.41 103.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.6 p -78.07 -179.42 6.12 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.518 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.5 m -168.9 155.43 6.84 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 116.308 -1.806 . . . . 0.0 109.985 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.7 tt -155.4 -52.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 120.988 1.722 . . . . 0.0 112.989 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -140.91 -77.43 0.05 OUTLIER Glycine 0 C--N 1.354 1.557 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.99 34.36 2.99 Favored Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 173.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.6 t -144.77 151.86 15.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -137.43 171.1 14.98 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.274 -1.346 . . . . 0.0 107.668 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.76 86.63 2.23 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.596 1.544 . . . . 0.0 109.591 170.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.06 151.2 44.78 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.421 1.464 . . . . 0.0 109.223 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -163.3 152.56 14.79 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 116.208 -1.853 . . . . 0.0 109.948 -172.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 36.0 m -134.64 98.53 2.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-N 120.589 1.541 . . . . 0.0 110.294 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.9 m -87.18 99.65 12.1 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.36 171.24 0.82 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.333 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -107.31 95.65 5.86 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.62 -158.3 0.31 Allowed 'General case' 0 C--N 1.35 0.629 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -171.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.719 0 CA-C-N 120.272 1.397 . . . . 0.0 111.21 -177.702 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.412 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -69.08 75.43 0.33 Allowed 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.258 0.935 . . . . 0.0 110.891 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m -164.27 121.73 1.71 Allowed 'General case' 0 C--N 1.351 0.641 0 CA-C-O 117.343 -1.313 . . . . 0.0 108.05 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.55 178.23 26.1 Favored Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.31 -1.272 . . . . 0.0 110.747 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -94.05 148.06 22.53 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 172.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -147.28 169.92 18.37 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 116.513 -1.708 . . . . 0.0 109.149 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -157.04 143.98 18.52 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 121.405 1.911 . . . . 0.0 111.354 171.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.2 mtm -62.5 158.99 16.57 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.695 0.68 . . . . 0.0 110.611 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -159.81 -59.19 0.06 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.11 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m -107.42 164.47 12.17 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 30.4 tt0 -161.38 155.45 22.4 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.331 -1.318 . . . . 0.0 110.759 -166.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -159.99 135.31 8.14 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-O 116.938 -1.506 . . . . 0.0 111.31 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 53.45 41.3 32.12 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-N 121.242 1.837 . . . . 0.0 110.4 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -96.73 -53.38 3.57 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 118.476 -0.774 . . . . 0.0 109.299 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.98 -58.0 8.46 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.553 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.32 -51.09 57.52 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 119.442 1.019 . . . . 0.0 109.823 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -52.99 -49.23 66.6 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 118.717 -1.193 . . . . 0.0 111.806 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 32.5 mmm -75.19 -48.42 23.62 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 118.615 0.643 . . . . 0.0 109.861 -173.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -38.67 -47.4 1.34 Allowed 'General case' 0 C--N 1.351 0.659 0 O-C-N 123.31 0.381 . . . . 0.0 110.913 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.38 -36.09 17.98 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.103 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -53.14 -42.07 65.73 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.059 0.845 . . . . 0.0 108.773 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.42 66.21 0.19 Allowed Glycine 0 C--N 1.356 1.65 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.4 mm -134.38 157.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-O 117.478 -1.248 . . . . 0.0 108.774 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 t -91.4 137.38 32.41 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.618 1.099 . . . . 0.0 112.275 -175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.2 t -48.86 -41.63 33.79 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -173.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -57.64 -46.6 83.95 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.018 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.86 -27.74 18.67 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.282 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.23 -56.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -56.38 -27.87 57.48 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.347 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.61 -61.45 2.51 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.278 1.399 . . . . 0.0 109.33 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.67 -31.29 47.13 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 121.146 1.794 . . . . 0.0 111.339 -173.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -67.19 -61.66 1.81 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.261 -0.975 . . . . 0.0 109.484 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -69.21 -55.2 11.28 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.793 -177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -71.43 134.1 46.37 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.454 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -81.4 96.69 7.43 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.84 141.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 106.236 -1.765 . . . . 0.0 106.236 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.9 t -94.77 154.2 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.892 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.7 m -136.13 121.43 19.18 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 117.083 -1.437 . . . . 0.0 108.138 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -117.47 152.89 34.11 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.3 t -144.36 147.97 18.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-O 118.097 -0.954 . . . . 0.0 108.769 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -146.59 91.86 2.09 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 164.6 23.67 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.256 -173.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -147.48 67.52 1.13 Allowed 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -171.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.79 -151.06 49.6 Favored Glycine 0 C--N 1.351 1.401 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 -173.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -48.28 -38.41 18.7 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.379 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.25 156.07 31.69 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.65 1.113 . . . . 0.0 110.833 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.94 164.36 26.3 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.904 0.775 . . . . 0.0 109.854 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -135.99 67.93 1.46 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -71.39 162.82 28.82 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -174.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 m -156.7 161.12 39.85 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 119.02 -1.072 . . . . 0.0 110.05 164.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -151.71 143.64 23.8 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 116.838 -1.554 . . . . 0.0 107.938 172.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -130.39 142.07 50.53 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-O 117.305 -1.331 . . . . 0.0 111.954 -160.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' CD2' ' A' ' 57' ' ' HIS . 28.0 p90 -165.19 172.87 11.97 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.311 0.96 . . . . 0.0 113.283 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 t 46.94 44.42 14.63 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 175.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.88 -92.12 0.01 OUTLIER Glycine 0 C--N 1.353 1.527 0 CA-C-O 118.424 -1.209 . . . . 0.0 111.967 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.11 65.46 3.97 Favored Glycine 0 C--N 1.355 1.614 0 CA-C-N 118.929 1.364 . . . . 0.0 111.565 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' CD2' ' CE1' ' A' ' 53' ' ' TYR . 34.9 t60 -164.16 133.8 3.96 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.744 -1.122 . . . . 0.0 109.041 172.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 m -135.5 109.41 8.15 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 168.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.4 ttp -76.28 149.38 37.12 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 173.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -140.19 144.18 36.47 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 120.126 1.33 . . . . 0.0 110.556 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -132.33 73.77 1.55 Allowed 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -173.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.73 151.28 46.86 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 170.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -166.26 168.79 14.85 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.784 -1.103 . . . . 0.0 111.252 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 m -126.26 131.08 51.98 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -89.87 143.09 11.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.42 19.42 74.43 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-O 117.311 -1.827 . . . . 0.0 109.642 -175.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -137.77 -71.88 0.43 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 119.461 1.63 . . . . 0.0 109.518 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.273 14.1 pt-20 124.61 150.56 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -165.4 159.98 17.58 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.785 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -67.21 132.11 47.12 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 106.328 -1.731 . . . . 0.0 106.328 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.0 mt -130.7 134.54 61.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -87.44 123.08 31.99 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.0 p -95.47 171.24 8.81 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 119.425 1.012 . . . . 0.0 113.028 -168.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 55.79 3.44 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 171.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.25 -131.18 1.19 Allowed Glycine 0 C--N 1.355 1.638 0 CA-C-O 117.918 -1.49 . . . . 0.0 112.82 -168.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.45 -49.7 7.96 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 119.453 1.627 . . . . 0.0 111.646 -173.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 7.4 ptpp? -165.13 172.58 12.39 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.918 -171.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -69.53 155.72 40.03 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.797 1.181 . . . . 0.0 110.034 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.474 ' CE1' ' O ' ' A' ' 77' ' ' LYS . 2.2 m-85 -148.83 168.88 21.81 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.08 172.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -100.86 82.26 2.38 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -84.79 163.59 19.01 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 117.406 -1.283 . . . . 0.0 109.932 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.1 m -102.99 106.03 16.47 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.879 -1.058 . . . . 0.0 109.008 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.15 150.14 4.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-O 117.335 -1.317 . . . . 0.0 107.671 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -144.75 -177.67 5.63 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 38.5 ttm -139.54 148.97 43.33 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 116.954 -1.498 . . . . 0.0 108.968 -173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -141.09 62.74 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.379 1.445 . . . . 0.0 110.399 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 64.93 80.59 0.14 Allowed Glycine 0 C--N 1.353 1.526 0 C-N-CA 119.906 -1.14 . . . . 0.0 110.999 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 65.52 37.37 93.62 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -158.11 149.98 21.72 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.639 -1.648 . . . . 0.0 108.092 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tp -120.39 157.97 28.15 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.934 1.243 . . . . 0.0 109.197 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.2 t -143.47 141.73 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.832 0 CA-C-O 116.115 -1.898 . . . . 0.0 108.885 -172.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -155.89 157.03 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 121.09 1.768 . . . . 0.0 110.232 173.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -149.92 121.49 8.0 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.525 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.481 ' CD2' ' HB2' ' A' ' 81' ' ' ALA . 10.4 m-85 -112.57 157.14 41.1 Favored Pre-proline 0 C--N 1.356 0.89 0 CA-C-O 115.949 -1.977 . . . . 0.0 105.734 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.81 74.98 2.73 Favored 'Trans proline' 0 C--N 1.356 0.971 0 CA-C-N 123.672 2.347 . . . . 0.0 107.7 170.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 177.37 -51.05 0.01 OUTLIER 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.998 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 2.9 p90 -154.24 -175.99 5.66 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.461 ' CE1' HG23 ' A' ' 100' ' ' THR . 0.7 OUTLIER -134.87 157.47 46.74 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 175.595 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -153.63 150.71 28.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.591 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.461 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.8 OUTLIER -134.3 108.99 8.53 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 174.216 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.4 m -80.91 163.81 23.07 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 117.739 -1.124 . . . . 0.0 107.996 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -161.11 130.08 4.63 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.196 -1.383 . . . . 0.0 110.835 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mm -89.67 145.84 6.92 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 CA-C-N 119.71 1.141 . . . . 0.0 107.937 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -136.23 73.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.862 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.13 -86.05 0.58 Allowed Glycine 0 C--N 1.355 1.605 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -135.26 57.7 1.79 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -170.37 133.36 1.07 Allowed 'General case' 0 C--N 1.351 0.635 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -175.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.5 tp -102.2 142.02 34.1 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 104.907 -2.257 . . . . 0.0 104.907 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.19 165.13 28.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-N 119.777 1.171 . . . . 0.0 108.564 175.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -146.14 162.1 38.72 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.188 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.6 t -138.44 93.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -72.77 170.08 15.37 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 65.9 m -166.13 156.41 12.52 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 116.927 -1.511 . . . . 0.0 110.671 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -156.1 -51.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-N 120.023 1.283 . . . . 0.0 112.587 174.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -139.0 -78.56 0.06 OUTLIER Glycine 0 C--N 1.356 1.639 0 N-CA-C 108.19 -1.964 . . . . 0.0 108.19 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.23 33.71 3.26 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 67.6 t -141.28 154.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -155.05 130.67 9.88 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 116.458 -1.734 . . . . 0.0 108.077 -174.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -100.3 95.62 6.9 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 -178.135 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -81.94 143.54 31.57 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.301 -1.333 . . . . 0.0 108.084 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.432 ' HB3' ' CE1' ' A' ' 119' ' ' TYR . 20.2 ptt180 -150.74 173.21 14.45 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-O 116.975 -1.488 . . . . 0.0 108.473 -173.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.9 m -141.84 112.0 2.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.8 m -94.03 102.07 14.13 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 104.906 -2.257 . . . . 0.0 104.906 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -62.54 167.02 4.67 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 116.955 -1.498 . . . . 0.0 109.804 -176.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.05 95.04 5.5 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -175.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.64 -154.66 0.14 Allowed 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.116 -1.421 . . . . 0.0 107.518 -173.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.658 0 CA-C-N 120.762 1.619 . . . . 0.0 110.232 -178.343 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 48.53 76.86 0.11 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.438 0.563 . . . . 0.0 111.555 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.0 m -158.14 122.28 4.12 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.909 -1.043 . . . . 0.0 108.208 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.13 -174.15 37.68 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 118.419 -1.212 . . . . 0.0 111.067 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -112.39 142.81 44.47 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 173.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -147.94 168.67 21.66 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 116.948 -1.501 . . . . 0.0 109.749 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -152.81 153.43 33.11 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 120.782 1.628 . . . . 0.0 110.927 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.5 ttm -70.51 141.77 51.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.215 -1.374 . . . . 0.0 110.507 -170.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -115.8 -57.56 2.21 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.023 0.827 . . . . 0.0 109.176 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -146.18 174.34 11.41 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.89 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -138.86 174.39 10.57 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.703 -1.142 . . . . 0.0 109.667 -173.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -118.34 -61.09 1.71 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.822 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -126.6 34.83 4.73 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.597 1.09 . . . . 0.0 110.591 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 39.4 t80 -56.72 -52.7 63.97 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 118.591 -0.719 . . . . 0.0 112.923 -176.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.24 -56.37 20.73 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.878 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.15 -51.83 67.42 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.384 -0.927 . . . . 0.0 110.01 -175.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -43.62 -40.13 3.93 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.717 176.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.473 ' SD ' ' CE1' ' A' ' 14' ' ' TYR . 16.1 mtt -82.0 -32.29 30.65 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 117.51 -1.234 . . . . 0.0 110.856 -177.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -34.29 59.73 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.143 1.338 . . . . 0.0 109.937 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.0 0.84 13.16 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.209 -1.377 . . . . 0.0 114.137 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.2 tp -70.8 -48.15 55.73 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 164.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.95 62.75 0.08 OUTLIER Glycine 0 C--N 1.359 1.825 0 CA-C-O 117.691 -1.616 . . . . 0.0 110.981 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.8 mm -128.75 156.33 41.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 CA-C-N 119.009 1.404 . . . . 0.0 108.572 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 t -81.09 149.6 29.13 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.863 -1.065 . . . . 0.0 112.972 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.5 p -72.58 69.55 0.88 Allowed 'General case' 0 C--N 1.36 1.022 0 CA-C-N 119.126 0.876 . . . . 0.0 111.874 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -172.85 -56.01 0.02 OUTLIER 'General case' 0 C--N 1.35 0.589 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.1 t -55.47 -41.93 65.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.7 mt -48.37 -64.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 174.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -51.16 -31.75 20.89 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.767 -173.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -67.13 -70.02 0.28 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.401 -1.285 . . . . 0.0 110.133 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.95 -26.57 6.13 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.559 1.527 . . . . 0.0 112.316 -168.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -60.61 -63.04 1.44 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.046 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -72.02 -53.37 13.15 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.356 -0.937 . . . . 0.0 109.141 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -57.11 115.91 2.92 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.773 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -75.09 101.04 4.4 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.9 146.02 12.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.0 t -98.02 155.98 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 m -141.67 125.29 16.82 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 117.172 -1.394 . . . . 0.0 109.751 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -117.29 154.49 31.13 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.7 t -141.59 144.79 25.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.422 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -146.01 102.64 3.66 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.18 166.36 6.2 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.735 1.152 . . . . 0.0 110.822 -175.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -150.02 59.32 0.98 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.21 -151.64 50.15 Favored Glycine 0 C--N 1.353 1.502 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -49.52 -34.47 17.41 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.823 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -77.06 147.65 36.58 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.13 1.332 . . . . 0.0 110.276 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -119.99 167.59 12.01 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.38 75.53 1.53 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -81.86 162.68 22.71 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 117.514 -1.231 . . . . 0.0 109.316 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 m -155.21 149.42 25.92 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.412 -1.28 . . . . 0.0 111.806 166.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -121.95 95.44 4.66 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -82.53 134.42 35.2 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 117.262 -1.351 . . . . 0.0 109.425 -172.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -81.87 -71.29 0.49 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -158.63 56.78 0.44 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 118.901 0.773 . . . . 0.0 108.957 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.15 56.41 20.59 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.41 -79.45 0.05 OUTLIER Glycine 0 C--N 1.353 1.506 0 C-N-CA 119.889 -1.148 . . . . 0.0 110.252 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -81.48 73.97 8.49 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 173.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.9 m -79.74 97.95 6.81 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.5 ttp -75.33 152.93 38.09 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 173.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.42 153.86 40.12 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 121.026 1.739 . . . . 0.0 112.603 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -131.83 75.52 1.65 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -78.37 144.67 35.76 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 172.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -167.36 171.44 10.59 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.733 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.6 m -130.03 133.98 47.1 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.58 152.06 3.4 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 CA-C-N 118.787 0.722 . . . . 0.0 109.387 -166.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.06 23.55 59.61 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-O 116.82 -2.1 . . . . 0.0 110.339 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -139.24 -48.83 0.49 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 119.897 1.848 . . . . 0.0 114.225 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 104.21 132.18 0.01 OUTLIER 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.518 1.053 . . . . 0.0 109.222 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.6 m -160.18 159.84 32.13 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.188 -1.387 . . . . 0.0 108.575 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -71.04 145.47 49.92 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.312 1.415 . . . . 0.0 107.521 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.5 mt -134.87 139.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -77.93 -34.93 51.04 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 120.337 1.426 . . . . 0.0 110.527 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.281 6.3 p 69.96 -142.32 0.08 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 117.658 -1.163 . . . . 0.0 108.268 175.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.14 130.09 40.05 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 116.917 -1.516 . . . . 0.0 108.3 -167.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.11 -95.3 0.01 OUTLIER Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.969 1.259 . . . . 0.0 110.204 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.98 41.62 1.01 Allowed Glycine 0 C--N 1.353 1.486 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -89.18 70.9 8.34 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.1 m -64.97 126.92 29.53 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.821 -169.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -124.07 -178.06 3.96 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.796 -1.927 . . . . 0.0 105.796 167.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -120.64 151.4 39.51 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 171.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -159.5 157.97 31.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 116.947 -1.502 . . . . 0.0 110.973 -169.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 m -103.44 102.88 12.81 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -75.02 144.78 11.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.44 -179.22 5.61 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 171.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -129.46 167.22 18.16 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -157.78 179.43 9.22 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.406 -1.283 . . . . 0.0 109.305 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -35.4 95.29 0.01 OUTLIER Glycine 0 C--N 1.355 1.604 0 CA-C-O 118.467 -1.185 . . . . 0.0 115.649 -173.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.91 43.61 71.36 Favored Glycine 0 C--N 1.357 1.715 0 CA-C-N 118.897 1.349 . . . . 0.0 110.295 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -164.22 158.24 18.77 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.244 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -121.66 152.67 39.08 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 117.684 -1.15 . . . . 0.0 109.923 -172.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.0 t -136.6 144.99 31.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-O 116.998 -1.477 . . . . 0.0 109.8 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.9 p -155.88 158.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 120.459 1.481 . . . . 0.0 109.869 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -144.96 124.07 12.86 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.879 -1.058 . . . . 0.0 108.233 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 68.0 m-85 -105.16 160.53 25.69 Favored Pre-proline 0 C--N 1.356 0.863 0 CA-C-O 115.831 -2.033 . . . . 0.0 106.226 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.24 69.51 4.01 Favored 'Trans proline' 0 C--N 1.357 0.99 0 CA-C-N 123.651 2.339 . . . . 0.0 110.015 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.3 p30 165.01 -72.1 0.0 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.025 -0.988 . . . . 0.0 108.483 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.538 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 3.2 p90 -101.24 172.92 6.71 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.409 ' CE1' HG23 ' A' ' 100' ' ' THR . 1.0 OUTLIER -139.24 156.18 47.26 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 177.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -154.28 152.83 30.75 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.616 1.098 . . . . 0.0 109.777 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.409 HG23 ' CE1' ' A' ' 98' ' ' HIS . 1.8 p -143.46 106.45 4.51 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.3 m -83.21 163.6 20.67 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-N 119.876 1.216 . . . . 0.0 108.429 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -159.42 131.19 6.31 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.133 -1.413 . . . . 0.0 109.704 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.6 mm -93.18 149.17 4.33 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 CA-C-N 119.99 1.268 . . . . 0.0 107.797 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.8 t -138.19 76.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.89 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.76 -85.35 0.76 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -136.03 59.37 1.71 Allowed 'General case' 0 C--N 1.354 0.781 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -170.13 143.22 2.42 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.066 -1.445 . . . . 0.0 107.515 -172.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.0 tp -110.9 137.31 48.7 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 m -134.47 160.4 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 CA-C-N 119.782 1.174 . . . . 0.0 108.349 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -139.42 167.47 22.0 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.823 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.3 t -143.27 101.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-O 116.427 -1.749 . . . . 0.0 106.63 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 171.44 10.42 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.043 1.747 . . . . 0.0 106.759 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.5 m -165.1 149.73 9.05 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 116.028 -1.939 . . . . 0.0 110.591 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.9 tt -161.72 -48.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 120.92 1.691 . . . . 0.0 114.789 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.49 75.79 0.12 Allowed Glycine 0 C--N 1.354 1.557 0 CA-C-N 121.246 1.839 . . . . 0.0 110.424 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.59 26.64 72.66 Favored Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.161 -1.355 . . . . 0.0 110.684 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.4 152.95 14.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 83.2 m -151.66 114.74 4.72 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -102.35 87.27 2.99 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 119.629 1.104 . . . . 0.0 108.065 -175.494 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.5 161.99 18.3 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.107 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -165.88 155.69 12.38 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 115.993 -1.956 . . . . 0.0 109.522 -162.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.1 m -134.58 83.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-N 120.921 1.692 . . . . 0.0 111.636 -170.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.1 m -69.5 131.93 45.5 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.575 1.534 . . . . 0.0 107.367 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -90.92 167.29 12.53 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 120.639 1.563 . . . . 0.0 107.241 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -102.99 79.62 1.78 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.959 1.254 . . . . 0.0 109.366 -169.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.94 -156.94 0.23 Allowed 'General case' 0 C--N 1.352 0.707 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -173.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.633 0 CA-C-N 120.511 1.505 . . . . 0.0 110.028 178.236 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 51.05 61.92 2.99 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 m -155.47 112.06 3.19 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.09 -171.79 38.08 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-O 118.095 -1.392 . . . . 0.0 110.632 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -113.59 145.1 41.8 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -146.16 170.78 16.02 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.392 -1.29 . . . . 0.0 110.023 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.29 147.42 24.71 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.844 1.202 . . . . 0.0 110.05 170.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ttp -50.92 133.7 26.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 116.605 -1.664 . . . . 0.0 109.736 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -99.73 -57.72 2.08 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 120.661 1.573 . . . . 0.0 110.346 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 m -132.94 -56.94 0.93 Allowed 'General case' 0 C--N 1.358 0.969 0 CA-C-O 117.154 -1.403 . . . . 0.0 114.178 -170.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 87.13 153.14 0.06 Allowed 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.669 1.122 . . . . 0.0 111.151 -174.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -159.48 138.6 11.1 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.096 -1.43 . . . . 0.0 108.444 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 60.99 16.53 7.08 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.934 1.243 . . . . 0.0 113.281 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -63.4 -49.15 74.94 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.098 0.863 . . . . 0.0 113.123 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -59.33 -63.23 1.38 Allowed 'General case' 0 C--N 1.348 0.532 0 CA-C-N 120.248 1.385 . . . . 0.0 113.083 -168.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.41 -43.16 97.0 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.207 -174.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -43.51 -39.74 3.54 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 119.733 1.152 . . . . 0.0 112.716 176.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.3 mmm -78.94 -35.76 42.79 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 118.374 -0.822 . . . . 0.0 108.992 -174.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -62.03 -35.02 77.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.776 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.13 -51.4 13.54 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.938 1.244 . . . . 0.0 108.884 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.9 tp -46.36 -40.57 12.16 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.605 -173.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.85 68.47 0.46 Allowed Glycine 0 C--N 1.354 1.556 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 175.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.1 mm -130.6 157.31 42.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.877 -1.059 . . . . 0.0 108.66 -174.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -86.64 134.39 33.62 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.835 -1.079 . . . . 0.0 111.719 -175.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.3 t -46.27 -41.38 13.01 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.311 0.959 . . . . 0.0 112.756 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -53.83 -50.58 65.86 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.609 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -81.18 -23.13 10.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-O 117.393 -1.289 . . . . 0.0 111.014 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.2 mt -55.82 -47.2 79.88 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 120.91 1.686 . . . . 0.0 107.199 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -58.67 -32.76 69.4 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 118.168 -0.92 . . . . 0.0 111.214 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -61.16 -67.33 0.42 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.949 1.25 . . . . 0.0 108.69 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.79 -3.18 14.41 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.592 -1.194 . . . . 0.0 112.732 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -64.6 -49.88 69.37 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.67 1.577 . . . . 0.0 108.096 169.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -136.8 45.15 2.3 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.96 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -114.72 135.79 53.77 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 171.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -73.39 146.77 44.88 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -132.83 125.46 52.44 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -85.4 150.01 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m -136.92 124.46 22.21 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -122.02 149.75 43.06 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -139.4 143.78 30.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-O 117.42 -1.276 . . . . 0.0 108.241 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -139.23 86.98 2.16 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 171.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -61.8 151.43 34.27 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.432 -0.794 . . . . 0.0 108.929 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -147.36 68.21 1.14 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -172.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.27 -156.45 52.21 Favored Glycine 0 C--N 1.352 1.423 0 C-N-CA 119.328 -1.415 . . . . 0.0 109.654 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -45.57 -38.21 6.24 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.127 174.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.89 147.87 36.78 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.503 1.047 . . . . 0.0 110.674 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.68 164.67 18.64 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -136.47 73.19 1.44 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -78.45 164.23 24.94 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.553 -171.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.8 m -151.93 154.46 36.13 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.706 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -135.11 89.4 2.52 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -80.28 140.42 36.2 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.674 -1.155 . . . . 0.0 109.631 -171.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -93.26 72.03 4.52 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 104.413 -2.44 . . . . 0.0 104.413 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t 67.3 -70.32 0.12 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.788 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.07 68.7 0.1 Allowed Glycine 0 C--N 1.355 1.598 0 CA-C-N 120.119 1.327 . . . . 0.0 111.642 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.64 -75.71 0.05 OUTLIER Glycine 0 C--N 1.354 1.538 0 C-N-CA 119.761 -1.209 . . . . 0.0 110.473 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -75.41 79.54 2.47 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 105.261 -2.125 . . . . 0.0 105.261 172.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 m -78.28 101.23 7.05 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 173.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 43.2 ttp -81.99 154.46 25.69 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 171.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.96 154.3 47.15 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.213 1.369 . . . . 0.0 111.218 175.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -128.69 75.08 1.61 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.5 145.22 45.79 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -162.71 166.31 24.54 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.411 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -125.32 134.24 52.31 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -88.26 153.13 3.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -169.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.31 22.05 57.92 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-O 117.295 -1.836 . . . . 0.0 110.702 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -140.07 -63.74 0.49 Allowed 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.76 1.78 . . . . 0.0 109.857 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.283 8.9 pt-20 113.18 154.04 0.0 OUTLIER 'General case' 0 C--N 1.356 0.883 0 C-N-CA 124.919 1.288 . . . . 0.0 108.054 177.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.1 m -156.9 168.08 28.54 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.403 -1.284 . . . . 0.0 108.359 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -79.66 87.67 5.19 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.1 mt -83.64 142.99 12.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.404 -172.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -99.93 56.46 0.96 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 118.622 0.646 . . . . 0.0 110.831 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 t -49.06 163.37 0.09 Allowed 'General case' 0 C--N 1.352 0.684 0 O-C-N 121.915 -0.491 . . . . 0.0 111.384 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.6 mmt -46.51 141.07 3.87 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.4 -0.809 . . . . 0.0 108.869 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.55 -172.81 30.26 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.59 25.79 12.87 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-O 118.022 -1.432 . . . . 0.0 110.639 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -162.67 173.55 13.73 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 119.374 1.587 . . . . 0.0 110.47 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -84.84 158.47 20.63 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 170.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -135.12 177.8 7.53 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.382 -1.294 . . . . 0.0 107.517 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -128.97 142.85 50.79 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -163.66 144.59 8.95 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.97 -1.49 . . . . 0.0 109.924 -169.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -95.59 107.97 20.2 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.398 0.999 . . . . 0.0 109.767 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.2 t -77.99 147.11 7.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -137.1 -177.87 4.95 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -155.62 149.57 25.45 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 117.488 -1.244 . . . . 0.0 108.763 -169.155 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.403 ' N ' ' SD ' ' A' ' 85' ' ' MET . 1.2 pp20? -151.54 164.65 36.37 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 119.482 1.037 . . . . 0.0 110.702 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.08 90.46 0.06 OUTLIER Glycine 0 C--N 1.354 1.549 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -176.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.06 -40.01 1.33 Allowed Glycine 0 C--N 1.355 1.589 0 CA-C-O 118.021 -1.433 . . . . 0.0 111.418 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -159.79 170.41 21.53 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.417 1.608 . . . . 0.0 112.058 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.9 tp -102.74 152.85 20.75 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 117.313 -1.327 . . . . 0.0 107.757 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.4 t -132.42 145.99 33.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-O 116.755 -1.593 . . . . 0.0 109.794 -176.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.8 p -155.35 157.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 120.97 1.714 . . . . 0.0 110.507 171.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -147.85 144.16 27.94 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.273 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.454 ' CE1' ' CE1' ' A' ' 97' ' ' TYR 0.253 24.8 m-85 -124.64 165.82 23.12 Favored Pre-proline 0 C--N 1.354 0.774 0 CA-C-O 116.097 -1.906 . . . . 0.0 106.393 -174.681 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -77.46 58.34 6.28 Favored 'Trans proline' 0 C--N 1.357 0.975 0 CA-C-N 123.588 2.317 . . . . 0.0 109.835 169.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -173.58 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.357 0.906 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.454 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 1.4 p90 -113.43 -178.65 3.43 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.428 ' CE1' HG23 ' A' ' 100' ' ' THR . 0.4 OUTLIER -139.31 157.39 45.98 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.697 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.98 153.58 28.27 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.524 1.056 . . . . 0.0 110.376 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.428 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -141.25 103.67 4.47 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 -178.395 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 m -78.05 163.02 26.27 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 107.454 -1.314 . . . . 0.0 107.454 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -160.44 117.21 2.42 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.731 1.15 . . . . 0.0 110.058 -171.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mm -89.36 150.52 3.69 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-N 119.346 0.976 . . . . 0.0 108.641 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -139.04 75.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.78 -82.93 0.82 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -138.39 63.02 1.54 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -172.34 137.57 0.88 Allowed 'General case' 0 C--N 1.351 0.64 0 CA-C-O 116.632 -1.651 . . . . 0.0 106.922 -173.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.1 tp -112.03 134.68 53.43 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.31 160.52 40.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -140.13 167.33 22.39 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.369 -1.301 . . . . 0.0 109.575 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.8 t -139.15 96.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.8 m -78.09 170.1 17.17 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.155 0.889 . . . . 0.0 109.441 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.6 m -161.58 147.65 13.96 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 116.996 -1.478 . . . . 0.0 110.952 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.8 tt -158.37 74.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-N 119.821 1.191 . . . . 0.0 110.616 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 61.81 22.24 61.89 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 117.346 -1.808 . . . . 0.0 113.469 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.43 -48.89 0.58 Allowed Glycine 0 C--N 1.356 1.67 0 CA-C-N 120.207 2.003 . . . . 0.0 111.63 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.9 t -89.38 153.61 3.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -128.47 164.85 21.86 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -139.43 91.33 2.48 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 167.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -89.45 164.41 14.85 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.922 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -161.64 165.96 27.51 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 117.105 -1.426 . . . . 0.0 109.944 -173.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.42 82.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.654 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -170.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.0 m -79.45 97.98 6.61 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -62.1 170.44 2.21 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.084 -1.436 . . . . 0.0 109.988 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -106.21 84.06 1.98 Allowed 'General case' 0 C--N 1.359 1.016 0 CA-C-N 119.913 1.233 . . . . 0.0 108.932 -172.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.1 -157.44 0.13 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -175.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.727 0 CA-C-N 120.548 1.522 . . . . 0.0 110.876 175.921 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 49.24 63.54 2.1 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.941 0.791 . . . . 0.0 108.922 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.7 m -159.75 122.49 3.48 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.464 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.28 175.56 24.01 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 118.384 -1.231 . . . . 0.0 110.63 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -92.01 145.98 24.1 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.206 -1.775 . . . . 0.0 106.206 170.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -142.59 165.84 26.3 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 116.766 -1.587 . . . . 0.0 108.873 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -146.24 127.02 14.37 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 116.795 -1.574 . . . . 0.0 110.598 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttp -48.1 109.84 0.27 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-O 117.513 -1.232 . . . . 0.0 108.922 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.14 -53.47 5.76 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.144 1.338 . . . . 0.0 108.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 p -154.26 172.66 17.28 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.129 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.33 170.77 16.11 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 118.795 0.725 . . . . 0.0 111.497 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -143.01 155.27 44.62 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 165.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 52.65 21.03 1.71 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.416 1.007 . . . . 0.0 113.555 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CE2' HG23 ' A' ' 28' ' ' ILE . 53.4 t80 -76.3 -49.77 16.08 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.354 0.979 . . . . 0.0 110.767 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.25 -56.89 12.9 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.359 -173.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.9 -52.41 65.15 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.102 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -43.12 -43.05 4.31 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 120.058 1.299 . . . . 0.0 111.861 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 36.5 mmm -76.86 -34.79 57.79 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.469 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -35.84 81.65 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.815 -1.088 . . . . 0.0 108.491 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.65 -51.8 31.54 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 120.398 1.454 . . . . 0.0 107.918 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.6 tp -48.28 -42.63 31.27 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.38 58.96 0.22 Allowed Glycine 0 C--N 1.356 1.647 0 CA-C-O 117.809 -1.551 . . . . 0.0 110.865 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.0 mm -126.53 155.16 36.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.952 0 CA-C-N 118.762 1.281 . . . . 0.0 108.055 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -72.77 159.92 33.02 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 p -86.04 65.46 9.11 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -167.03 -56.38 0.03 OUTLIER 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.87 -45.96 87.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 169.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.524 HG23 ' CE2' ' A' ' 14' ' ' TYR . 87.5 mt -52.39 -57.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -56.03 -36.6 68.17 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.132 -171.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -75.6 -64.35 1.09 Allowed 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.04 -38.37 0.32 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 118.011 -0.995 . . . . 0.0 113.572 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -77.38 -44.23 30.02 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.195 0.907 . . . . 0.0 111.191 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -74.73 -54.49 7.28 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 35' ' ' LYS . 2.2 t80 -50.05 116.13 1.7 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 173.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 45.4 mmtm -61.49 155.93 20.68 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 175.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 mt -133.5 153.81 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.76 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.4 t -104.82 155.6 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -174.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.1 m -146.02 121.71 10.5 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 116.805 -1.569 . . . . 0.0 107.911 176.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -115.43 153.44 31.08 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.21 147.41 19.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 117.974 -1.013 . . . . 0.0 108.662 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -146.72 94.39 2.43 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 167.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -65.46 161.67 19.49 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 119.373 -0.931 . . . . 0.0 108.838 -174.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -148.73 65.73 1.05 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -172.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.85 -152.25 52.6 Favored Glycine 0 C--N 1.352 1.426 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -50.36 -37.06 35.14 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.747 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.59 156.11 33.02 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.724 1.147 . . . . 0.0 111.083 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 8.7 m-85 -133.14 166.01 23.44 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.883 0.765 . . . . 0.0 109.554 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.3 p -133.57 68.93 1.48 Allowed 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.052 -1.832 . . . . 0.0 106.052 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -76.48 159.88 30.0 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 116.935 -1.507 . . . . 0.0 107.825 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 m -154.86 155.15 33.86 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.114 168.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -127.33 144.42 51.05 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 115.728 -2.082 . . . . 0.0 106.707 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.427 ' N ' ' CD2' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -135.97 139.54 43.28 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 121.462 1.937 . . . . 0.0 108.823 -177.733 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.622 ' CZ ' ' NE2' ' A' ' 57' ' ' HIS . 15.2 p90 -158.86 64.74 0.42 Allowed 'General case' 0 C--N 1.354 0.797 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.692 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.2 t 139.01 147.25 0.0 OUTLIER 'General case' 0 C--N 1.356 0.891 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 174.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.09 85.55 0.1 OUTLIER Glycine 0 C--N 1.355 1.627 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.03 -54.58 0.56 Allowed Glycine 0 C--N 1.354 1.544 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.622 ' NE2' ' CZ ' ' A' ' 53' ' ' TYR . 56.2 t60 -67.95 134.56 50.98 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.383 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.6 m -150.76 106.19 3.37 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 166.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 27.9 ttp -81.23 155.51 26.08 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 175.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.0 m -141.64 145.82 35.43 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 121.199 1.818 . . . . 0.0 112.451 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -132.86 72.75 1.5 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -66.67 148.19 52.25 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 169.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.419 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 9.6 p90 -162.22 168.55 22.24 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 119.271 0.942 . . . . 0.0 110.921 178.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -129.89 128.83 43.0 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.44 142.02 13.54 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -168.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.49 17.78 74.86 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-O 116.728 -2.151 . . . . 0.0 110.129 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -137.47 -70.97 0.44 Allowed 'General case' 0 C--N 1.361 1.08 0 CA-C-N 120.296 2.048 . . . . 0.0 109.367 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.254 15.5 pt-20 129.38 156.73 0.0 OUTLIER 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.487 1.115 . . . . 0.0 109.279 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 m -160.48 158.54 29.51 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.558 -1.21 . . . . 0.0 109.397 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -69.61 82.31 0.42 Allowed 'General case' 0 C--N 1.357 0.928 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.16 134.84 26.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 CA-C-O 117.295 -1.336 . . . . 0.0 109.492 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.0 151.34 21.09 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 p -131.36 175.16 9.37 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 118.728 0.695 . . . . 0.0 111.956 -166.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.8 mmm -97.23 45.14 1.04 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.66 -140.02 3.67 Favored Glycine 0 C--N 1.356 1.644 0 CA-C-O 118.332 -1.26 . . . . 0.0 111.492 -169.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.32 -40.84 54.4 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-N 118.898 1.349 . . . . 0.0 111.475 -174.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 7.3 ptpp? -163.3 169.85 18.49 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.74 -1.124 . . . . 0.0 111.671 -172.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 t -69.76 165.98 20.25 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 109.978 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' A' ' 77' ' ' LYS . 6.3 m-85 -151.09 169.39 21.96 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.737 -1.125 . . . . 0.0 109.608 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -102.76 76.81 1.53 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 173.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -81.23 160.63 24.23 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.401 -1.285 . . . . 0.0 109.349 -175.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 m -107.94 105.93 15.95 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.603 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.2 t -79.66 148.5 5.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -142.75 -174.51 4.18 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 36.4 ttm -134.59 154.11 51.64 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 117.052 -1.451 . . . . 0.0 108.428 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -139.9 65.77 1.41 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.324 1.42 . . . . 0.0 109.887 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.55 -119.46 5.61 Favored Glycine 0 C--N 1.357 1.707 0 CA-C-O 117.405 -1.775 . . . . 0.0 108.761 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.76 47.35 1.32 Allowed Glycine 0 C--N 1.356 1.679 0 N-CA-C 108.229 -1.949 . . . . 0.0 108.229 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -157.58 153.05 26.26 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.17 -1.395 . . . . 0.0 108.362 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 tp -114.04 156.3 24.37 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.686 -1.15 . . . . 0.0 110.88 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.2 t -133.18 144.46 36.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-O 116.529 -1.7 . . . . 0.0 110.233 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.45 159.12 3.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-N 120.877 1.671 . . . . 0.0 110.248 171.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -148.09 119.88 8.11 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.06 -0.971 . . . . 0.0 108.902 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' A' ' 81' ' ' ALA . 65.1 m-85 -98.29 162.57 21.52 Favored Pre-proline 0 C--N 1.356 0.865 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -78.69 59.42 7.24 Favored 'Trans proline' 0 C--N 1.357 0.976 0 CA-C-N 123.976 2.456 . . . . 0.0 109.848 173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -172.88 -71.62 0.01 OUTLIER 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.403 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 19.2 p90 -110.43 174.7 5.74 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 175.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -133.02 155.6 48.88 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -153.63 155.82 36.79 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.62 1.1 . . . . 0.0 109.113 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.77 105.32 5.1 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.86 164.47 26.6 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 -177.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -163.64 115.8 1.44 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.996 1.271 . . . . 0.0 111.373 -173.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.18 149.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 119.542 1.065 . . . . 0.0 108.47 174.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.49 74.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.54 -84.9 0.75 Allowed Glycine 0 C--N 1.354 1.534 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -139.41 57.54 1.64 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -170.94 126.46 0.7 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -171.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.9 tp -101.82 137.97 39.41 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 -176.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.3 168.1 19.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -145.45 173.07 12.33 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.761 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -150.4 103.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 171.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -84.49 171.96 12.09 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 -176.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 m -161.67 143.0 11.19 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 120.664 1.575 . . . . 0.0 111.173 -172.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 116' ' ' GLY . 12.4 tt -165.27 139.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 116.139 -1.886 . . . . 0.0 109.323 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 45.65 -91.29 0.01 OUTLIER Glycine 0 C--N 1.355 1.621 0 CA-C-N 120.715 1.598 . . . . 0.0 111.254 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 114' ' ' ILE . . . -147.38 43.93 0.82 Allowed Glycine 0 C--N 1.354 1.545 0 CA-C-O 118.799 -1.001 . . . . 0.0 110.824 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.4 t -141.29 151.59 19.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.9 m -130.61 168.38 17.2 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.787 -1.102 . . . . 0.0 108.239 -173.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -153.09 110.38 3.51 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.777 -1.583 . . . . 0.0 109.332 173.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -95.62 160.89 14.28 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 120.316 1.416 . . . . 0.0 110.268 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -145.9 166.66 25.34 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 117.045 -1.455 . . . . 0.0 107.761 174.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 39.8 t -136.42 78.24 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.2 m -73.87 95.59 2.47 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -59.27 169.09 1.24 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.284 -1.341 . . . . 0.0 109.279 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -108.66 87.16 2.43 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -172.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.16 -156.6 0.39 Allowed 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.184 -1.388 . . . . 0.0 107.845 -171.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.687 0 CA-C-N 120.485 1.493 . . . . 0.0 110.267 -175.539 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 118.396 -0.811 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 47.29 67.66 0.77 Allowed 'General case' 0 C--N 1.353 0.747 0 O-C-N 123.505 0.503 . . . . 0.0 110.598 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.0 m -158.26 115.8 2.93 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.278 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.81 174.93 26.23 Favored Glycine 0 C--N 1.354 1.538 0 CA-C-O 117.471 -1.738 . . . . 0.0 110.685 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -98.57 144.09 28.26 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.038 1.419 . . . . 0.0 107.65 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -137.9 171.05 15.0 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.881 -1.533 . . . . 0.0 108.65 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.33 152.37 36.96 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 120.879 1.672 . . . . 0.0 110.612 168.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -81.66 160.24 23.77 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.892 -173.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -167.21 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.519 -1.705 . . . . 0.0 112.983 -177.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.2 p -116.8 154.73 30.18 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 121.588 1.994 . . . . 0.0 108.024 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -169.48 154.32 5.6 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.703 -1.618 . . . . 0.0 110.261 -166.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.52 167.05 13.91 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 121.088 1.767 . . . . 0.0 112.742 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 62.46 42.94 8.34 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 118.791 0.723 . . . . 0.0 109.82 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.61 ' CD1' ' CE1' ' A' ' 119' ' ' TYR . 27.9 t80 -113.45 -61.48 1.73 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -160.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.41 -49.43 34.96 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 119.376 0.989 . . . . 0.0 109.271 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.87 -54.82 40.41 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.067 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -47.31 -35.92 8.61 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 121.567 1.985 . . . . 0.0 112.744 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.4 mmt -87.25 -24.54 24.34 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.105 -175.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -66.85 -38.56 86.62 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.86 -51.57 46.71 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -58.05 -47.44 83.14 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -171.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.26 68.26 0.51 Allowed Glycine 0 C--N 1.355 1.601 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.101 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 mm -126.42 157.5 36.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 CA-C-N 118.316 1.058 . . . . 0.0 109.155 -176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.4 t -71.8 153.94 41.62 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.816 0.735 . . . . 0.0 112.772 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 m -63.03 -30.27 71.47 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.066 -0.968 . . . . 0.0 113.574 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -80.77 -44.08 19.14 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 -175.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.48 -40.05 77.21 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.79 -65.9 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.85 -21.51 57.03 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-O 117.854 -1.07 . . . . 0.0 112.394 -173.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -66.54 -64.06 0.94 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-N 120.847 1.658 . . . . 0.0 106.968 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.25 . . -65.23 -7.97 15.4 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.648 -1.644 . . . . 0.0 112.183 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -59.11 -52.75 64.37 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.934 2.152 . . . . 0.0 106.954 167.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -135.19 49.54 2.19 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 123.404 0.44 . . . . 0.0 111.768 -172.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -119.14 123.41 44.31 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 173.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.51 78.29 0.79 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.29 144.67 14.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.9 t -100.28 154.81 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.96 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.9 m -141.23 154.03 45.57 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 107.472 -1.306 . . . . 0.0 107.472 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -152.38 157.58 41.47 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.04 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -142.81 153.21 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.746 0 O-C-N 124.049 0.843 . . . . 0.0 110.587 -172.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -143.94 106.94 4.49 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -74.9 86.52 2.27 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -80.05 68.87 6.31 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.01 -162.63 45.92 Favored Glycine 0 C--N 1.353 1.509 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.492 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -43.75 -35.31 1.81 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.806 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.64 121.84 26.34 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 117.519 -1.229 . . . . 0.0 109.002 175.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -94.17 161.98 14.05 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.56 80.9 1.92 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 103.52 -2.77 . . . . 0.0 103.52 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -78.86 162.64 25.92 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.398 -1.287 . . . . 0.0 107.905 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -155.58 157.62 37.08 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 119.913 1.233 . . . . 0.0 111.255 167.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -135.04 111.25 9.63 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 116.691 -1.623 . . . . 0.0 106.702 -176.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -100.41 131.54 46.28 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 120.725 1.602 . . . . 0.0 111.076 -171.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.431 ' CZ ' ' CD2' ' A' ' 57' ' ' HIS . 31.7 p90 -169.74 152.17 4.48 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.53 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 m 58.66 59.2 2.99 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.773 1.169 . . . . 0.0 111.703 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.9 -97.79 0.01 OUTLIER Glycine 0 C--N 1.355 1.615 0 CA-C-O 118.132 -1.371 . . . . 0.0 114.244 169.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.16 60.67 4.87 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-N 119.333 1.566 . . . . 0.0 111.002 -177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.431 ' CD2' ' CZ ' ' A' ' 53' ' ' TYR . 52.9 t60 -163.74 72.46 0.27 Allowed 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.9 m -88.15 96.63 10.61 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 103.869 -2.641 . . . . 0.0 103.869 169.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.3 ttp -70.22 153.45 43.08 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -136.78 154.27 50.6 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.73 1.605 . . . . 0.0 111.917 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -135.46 73.01 1.45 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -76.44 156.5 33.04 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.706 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -168.48 171.65 8.84 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.667 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -129.68 129.28 44.05 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.07 146.18 6.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -167.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.81 7.9 59.72 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-O 115.897 -2.613 . . . . 0.0 111.838 -174.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -137.81 2.51 2.4 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 121.396 2.598 . . . . 0.0 116.871 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 61.93 138.23 0.01 OUTLIER 'General case' 0 C--N 1.35 0.622 0 CA-C-N 120.846 1.657 . . . . 0.0 114.522 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 m -164.36 163.66 22.37 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.265 -1.35 . . . . 0.0 108.247 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -73.63 140.84 46.42 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.162 1.346 . . . . 0.0 108.4 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.8 mt -137.77 146.5 27.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 CA-C-O 117.105 -1.426 . . . . 0.0 108.016 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -111.1 59.09 0.61 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.447 1.021 . . . . 0.0 109.981 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.3 t -52.59 170.15 0.07 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.521 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 mmt -59.83 149.1 32.28 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.46 -178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 141.07 -175.41 22.23 Favored Glycine 0 C--N 1.354 1.581 0 N-CA-C 108.909 -1.676 . . . . 0.0 108.909 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.24 -20.27 59.22 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-O 117.25 -1.861 . . . . 0.0 113.938 -177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.507 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 52.9 mtpt -140.37 174.84 10.12 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.099 1.949 . . . . 0.0 111.415 -172.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.2 m -76.98 154.66 33.31 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 77' ' ' LYS . 65.0 m-85 -131.19 -174.58 3.43 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.382 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -136.15 147.42 47.72 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.138 -0.934 . . . . 0.0 108.751 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.88 162.89 29.44 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.113 -1.423 . . . . 0.0 109.633 -173.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.2 m -105.57 99.84 9.43 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.358 0.981 . . . . 0.0 108.811 -177.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.52 146.0 10.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -140.46 -179.36 5.97 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -135.27 171.85 13.85 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -156.02 65.22 0.58 Allowed 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.719 -0.793 . . . . 0.0 111.003 170.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.08 -105.44 3.13 Favored Glycine 0 C--N 1.356 1.667 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.3 43.23 1.73 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 107.735 -2.146 . . . . 0.0 107.735 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.25 151.64 32.12 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.2 tp -122.28 152.46 40.05 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.985 -165.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.0 t -139.36 147.57 24.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 CA-C-O 116.804 -1.57 . . . . 0.0 110.484 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.28 159.17 2.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 120.736 1.607 . . . . 0.0 110.422 170.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -148.27 138.91 22.9 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.745 -1.121 . . . . 0.0 108.853 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . 0.251 13.4 m-85 -119.04 165.27 17.45 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-O 116.261 -1.828 . . . . 0.0 106.561 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.49 64.57 7.33 Favored 'Trans proline' 0 C--N 1.357 0.978 0 CA-C-N 123.15 2.161 . . . . 0.0 108.192 166.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -178.88 -81.89 0.0 OUTLIER 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.78 -1.105 . . . . 0.0 108.106 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.07 -173.9 2.35 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.196 0.907 . . . . 0.0 109.318 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -138.01 159.46 41.95 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.09 150.07 26.8 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.761 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.95 108.9 4.4 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -91.89 161.42 14.84 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 120.351 1.432 . . . . 0.0 108.519 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.46 120.95 8.51 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.83 -1.081 . . . . 0.0 109.325 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -85.94 148.31 4.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.28 75.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.49 -81.29 0.61 Allowed Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -138.59 61.18 1.59 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -170.28 137.84 1.53 Allowed 'General case' 0 C--N 1.351 0.665 0 CA-C-O 116.902 -1.523 . . . . 0.0 107.358 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.5 tp -112.66 137.13 51.39 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.48 173.52 14.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 CA-C-N 120.22 1.373 . . . . 0.0 108.4 173.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -149.05 154.97 40.06 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 116.923 -1.513 . . . . 0.0 110.846 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 68.9 t -139.47 109.22 3.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.0 p -82.13 174.84 10.83 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.955 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.6 m -161.94 155.65 21.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.354 -1.307 . . . . 0.0 110.32 169.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -153.63 -52.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.945 0 CA-C-N 119.931 1.241 . . . . 0.0 113.55 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.3 70.87 0.2 Allowed Glycine 0 C--N 1.353 1.527 0 CA-C-N 120.642 1.565 . . . . 0.0 109.704 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.57 25.18 73.05 Favored Glycine 0 C--N 1.353 1.514 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.957 -174.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.7 t -147.27 149.21 15.81 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.3 m -137.36 164.72 27.92 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.25 -1.357 . . . . 0.0 107.625 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.61 ' CE1' ' CD1' ' A' ' 14' ' ' TYR . 25.9 t80 -142.32 118.31 10.62 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 115.992 -1.956 . . . . 0.0 106.738 169.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -121.96 160.89 23.91 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.761 1.619 . . . . 0.0 110.167 -175.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -163.87 154.57 15.66 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 116.886 -1.53 . . . . 0.0 108.942 -167.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.0 t -131.5 90.18 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -166.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.4 m -84.33 104.01 14.0 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.926 -1.035 . . . . 0.0 108.376 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -67.73 167.35 13.46 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.454 1.479 . . . . 0.0 111.14 -176.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.9 91.62 3.9 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -173.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.75 -157.6 0.14 Allowed 'General case' 0 C--N 1.351 0.644 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -173.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.702 0 CA-C-N 120.781 1.628 . . . . 0.0 111.067 -179.76 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 CA--C 1.51 -0.593 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.0 m -158.79 113.36 2.48 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-O 117.607 -1.187 . . . . 0.0 108.433 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.74 177.36 27.99 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 118.011 -1.438 . . . . 0.0 111.34 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -88.88 147.62 24.28 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 118.567 1.183 . . . . 0.0 107.956 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -145.24 173.05 12.29 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 116.872 -1.537 . . . . 0.0 109.131 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -156.87 141.47 16.79 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.757 1.617 . . . . 0.0 110.87 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttp -68.93 105.46 2.39 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.083 -1.437 . . . . 0.0 108.567 -173.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -81.89 -37.79 26.33 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 120.955 1.707 . . . . 0.0 110.47 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 m -155.2 173.47 16.57 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.43 1.014 . . . . 0.0 111.358 -171.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -142.02 172.8 12.19 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 118.129 -0.938 . . . . 0.0 111.1 -175.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -118.48 -74.73 0.6 Allowed 'General case' 0 C--N 1.359 0.996 0 CA-C-O 117.197 -1.382 . . . . 0.0 109.923 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -108.98 20.58 18.26 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 120.479 1.491 . . . . 0.0 112.203 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -44.75 -44.68 9.46 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -57.06 -54.33 47.98 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 119.761 -0.776 . . . . 0.0 111.226 -173.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -69.33 -51.24 38.94 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.056 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -44.16 -39.57 4.42 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 119.209 0.913 . . . . 0.0 111.677 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -49.12 65.58 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.295 0.0 OUTLIER -56.16 -25.68 47.48 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.732 -1.127 . . . . 0.0 110.946 -175.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -76.49 -50.52 13.8 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 119.99 1.268 . . . . 0.0 109.207 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.84 -46.96 74.7 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.412 1.46 . . . . 0.0 108.922 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.69 64.13 0.76 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.2 mm -103.36 157.09 5.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 t -71.1 141.18 50.82 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.831 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -54.18 -30.33 49.12 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -77.52 -45.12 26.44 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.32 -36.48 74.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 CA-C-O 117.869 -1.063 . . . . 0.0 108.632 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.4 mt -56.95 -58.01 7.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -58.22 -25.84 62.13 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.513 -1.232 . . . . 0.0 112.404 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -66.31 -68.13 0.39 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 121.066 1.757 . . . . 0.0 109.809 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.69 -38.89 22.6 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.293 0.951 . . . . 0.0 111.255 -170.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -30.63 60.49 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.701 -176.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -101.96 33.42 3.05 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.437 1.017 . . . . 0.0 110.325 171.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -151.46 145.05 24.94 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.694 1.134 . . . . 0.0 111.026 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -89.63 87.26 6.95 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.01 127.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 104.829 -2.286 . . . . 0.0 104.829 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.8 t -86.89 151.81 3.54 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.9 m -140.74 117.83 11.23 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 117.225 -1.369 . . . . 0.0 108.231 -173.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -108.17 157.97 17.84 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.6 t -143.74 149.54 17.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 CA-C-O 117.562 -1.209 . . . . 0.0 109.49 174.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -143.88 88.66 1.99 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.22 89.2 0.19 Allowed 'General case' 0 C--N 1.351 0.65 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -91.86 70.32 5.58 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.4 -159.5 46.7 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.03 -1.081 . . . . 0.0 111.07 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -50.03 -33.55 18.54 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.138 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.72 146.15 30.14 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 120.005 1.275 . . . . 0.0 108.653 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.86 160.2 23.92 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.2 76.85 1.64 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 103.841 -2.651 . . . . 0.0 103.841 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -77.94 155.96 30.54 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 116.729 -1.605 . . . . 0.0 106.759 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -149.89 158.97 44.69 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 119.824 1.193 . . . . 0.0 110.462 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -136.23 81.19 1.87 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 . . . . . 0 CA--C 1.503 -0.828 0 CA-C-O 117.532 -1.223 . . . . 0.0 109.535 -171.141 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.426 ' CD2' ' C ' ' A' ' 57' ' ' HIS . 6.9 t60 . . . . . 0 CA--C 1.51 -0.577 0 CA-C-O 118.15 -0.929 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.426 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 87.2 m -134.57 109.08 8.44 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.572 -1.204 . . . . 0.0 107.828 171.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.1 ttp -85.85 153.82 21.98 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 172.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -135.54 153.03 51.84 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.842 1.656 . . . . 0.0 111.581 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -131.48 71.54 1.48 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -73.33 142.67 47.08 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -160.41 168.91 24.16 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.035 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -124.65 137.24 54.38 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.38 152.75 3.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -170.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.34 24.09 63.14 Favored Glycine 0 C--N 1.351 1.381 0 CA-C-O 117.682 -1.621 . . . . 0.0 109.462 -172.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -145.01 -61.02 0.36 Allowed 'General case' 0 C--N 1.359 0.982 0 CA-C-N 119.158 1.479 . . . . 0.0 110.272 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.282 6.6 pt-20 112.8 154.61 0.0 OUTLIER 'General case' 0 C--N 1.357 0.908 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.4 m -162.95 167.33 22.74 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 117.228 -1.368 . . . . 0.0 108.843 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -74.64 140.91 44.6 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 171.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.9 mt -136.31 140.44 43.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 120.113 1.324 . . . . 0.0 108.133 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -74.84 -39.63 61.49 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.337 0.971 . . . . 0.0 111.509 -168.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.7 p . . . . . 0 C--N 1.351 0.646 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 171.155 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--O 1.219 -0.537 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -115.74 141.58 47.9 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 171.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -154.8 150.94 28.06 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.048 -1.453 . . . . 0.0 110.48 -169.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.9 m -92.97 102.55 14.9 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.278 0.945 . . . . 0.0 109.0 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.81 145.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -140.96 175.37 9.67 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 174.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.7 mtp -129.15 172.76 11.11 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -133.65 -64.33 0.72 Allowed 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.065 0.853 . . . . 0.0 109.206 170.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.37 -74.6 0.02 OUTLIER Glycine 0 C--N 1.351 1.416 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.54 38.6 3.21 Favored Glycine 0 C--N 1.356 1.662 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -163.92 177.63 8.4 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.412 1.106 . . . . 0.0 110.11 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.1 tp -138.19 160.19 40.07 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 117.632 -1.175 . . . . 0.0 109.172 -172.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.6 t -141.7 145.3 24.56 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-O 116.617 -1.659 . . . . 0.0 110.472 -171.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.1 p -155.67 156.8 4.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 120.502 1.501 . . . . 0.0 110.219 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -149.32 118.45 6.77 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.486 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 10.0 m-85 -108.11 158.56 33.33 Favored Pre-proline 0 C--N 1.356 0.88 0 CA-C-O 115.755 -2.069 . . . . 0.0 106.256 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.04 67.49 5.95 Favored 'Trans proline' 0 C--N 1.358 1.04 0 CA-C-N 123.814 2.398 . . . . 0.0 108.349 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -174.88 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.7 -0.667 . . . . 0.0 109.808 -171.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.486 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 19.8 p90 -151.72 -176.53 5.66 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.412 ' CE1' HG23 ' A' ' 100' ' ' THR . 1.7 t-80 -133.86 154.13 51.26 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 120.152 1.342 . . . . 0.0 107.867 176.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -156.99 152.18 26.29 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.243 0.929 . . . . 0.0 109.676 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.412 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.8 OUTLIER -143.23 121.86 12.54 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.8 m -95.75 163.01 13.36 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-N 121.173 1.806 . . . . 0.0 108.982 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -157.54 98.45 1.67 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-N 119.136 0.88 . . . . 0.0 109.536 -171.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mm -72.56 149.27 8.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.582 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.5 t -133.91 80.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.08 -83.44 0.17 Allowed Glycine 0 C--N 1.354 1.536 0 CA-C-O 118.794 -1.003 . . . . 0.0 110.725 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -134.05 60.79 1.69 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -169.09 138.12 2.08 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 -178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.39 129.3 55.79 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.14 158.84 30.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -143.79 161.67 38.02 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.317 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.0 p -147.36 104.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -92.72 171.98 8.64 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 117.239 -1.362 . . . . 0.0 108.144 -172.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.6 m -165.14 150.23 9.3 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-N 120.84 1.654 . . . . 0.0 111.324 -171.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 17.1 tt -160.49 -50.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 120.293 1.406 . . . . 0.0 113.695 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -162.05 74.96 0.19 Allowed Glycine 0 C--N 1.356 1.657 0 CA-C-N 121.261 1.846 . . . . 0.0 110.906 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.64 20.93 79.86 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-O 117.885 -1.509 . . . . 0.0 111.382 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 71.7 t -144.78 152.42 15.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.1 m -152.07 131.08 12.59 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.584 -1.674 . . . . 0.0 108.235 -176.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.09 96.74 6.21 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 119.84 1.2 . . . . 0.0 110.111 -173.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.68 153.39 35.18 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.722 -1.133 . . . . 0.0 111.15 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -144.49 175.9 9.78 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 116.98 -1.486 . . . . 0.0 107.982 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.27 78.98 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.723 0 CA-C-N 119.919 1.236 . . . . 0.0 107.922 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.9 m -72.98 98.18 2.45 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -67.72 169.83 8.89 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.289 -1.815 . . . . 0.0 110.145 -175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -105.92 90.45 3.39 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -173.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.64 -153.95 0.19 Allowed 'General case' 0 C--N 1.35 0.625 0 CA-C-O 117.072 -1.442 . . . . 0.0 107.529 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.629 0 CA-C-N 120.791 1.632 . . . . 0.0 110.256 -175.469 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 CA--C 1.508 -0.648 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.6 m -156.12 113.53 3.24 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.96 -155.95 27.55 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 119.881 -1.152 . . . . 0.0 111.092 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.41 155.5 42.07 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 174.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' THR . 25.4 m-85 -154.92 166.24 34.16 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 116.358 -1.782 . . . . 0.0 110.972 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -145.0 150.58 37.16 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.395 1.907 . . . . 0.0 110.733 167.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.2 ttm -101.65 146.27 27.94 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 116.905 -1.521 . . . . 0.0 109.439 -168.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -160.29 -48.81 0.05 OUTLIER 'General case' 0 C--N 1.357 0.901 0 CA-C-O 117.04 -1.457 . . . . 0.0 114.054 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -69.68 -60.02 2.58 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 122.181 2.264 . . . . 0.0 109.888 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 59.66 173.8 0.08 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.545 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -143.83 -89.03 0.12 Allowed 'General case' 0 C--N 1.358 0.958 0 CA-C-O 117.192 -1.385 . . . . 0.0 110.328 -177.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -83.84 -17.38 41.14 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.398 1.908 . . . . 0.0 111.544 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.444 ' OH ' ' HB3' ' A' ' 31' ' ' ALA . 67.1 t80 2.45 -63.25 0.0 OUTLIER 'General case' 0 C--N 1.354 0.792 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 171.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -53.14 -55.32 24.97 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 119.96 1.255 . . . . 0.0 110.961 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.22 -51.23 64.71 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.032 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -44.91 -38.51 4.7 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 118.607 -1.237 . . . . 0.0 113.266 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.4 mmt -75.11 -37.56 61.45 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 117.896 -1.05 . . . . 0.0 108.401 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -53.37 -36.59 61.57 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.726 1.148 . . . . 0.0 110.276 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -79.39 -39.96 31.27 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.209 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.78 -40.24 66.09 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 171.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.65 57.41 0.74 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mm -105.54 154.88 6.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.8 p -80.9 150.26 29.11 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 120.123 1.328 . . . . 0.0 111.74 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.9 p -62.61 -37.95 88.27 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 118.901 0.773 . . . . 0.0 111.656 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.52 -32.38 73.3 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.713 -1.137 . . . . 0.0 111.164 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 m -90.61 -31.05 4.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.157 -1.401 . . . . 0.0 110.742 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.3 mt -54.38 -62.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-N 121.132 1.787 . . . . 0.0 106.824 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -46.97 -40.33 14.18 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.15 0.886 . . . . 0.0 111.368 -175.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -68.8 -52.12 33.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.201 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB3' ' OH ' ' A' ' 14' ' ' TYR . . . -46.58 -34.14 4.7 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-O 116.927 -1.511 . . . . 0.0 112.377 -175.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -33.47 13.47 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.274 1.397 . . . . 0.0 111.418 177.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -59.26 -53.61 56.35 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.9 1.682 . . . . 0.0 107.823 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -82.51 156.29 24.1 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -91.94 99.77 12.55 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -172.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -58.86 133.42 24.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -91.02 151.61 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' PHE . 5.6 m -134.66 134.73 41.47 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' C ' ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -133.34 160.76 36.4 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 174.34 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 t -144.32 144.97 22.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 CA-C-O 117.825 -1.083 . . . . 0.0 110.138 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -139.46 85.96 2.09 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -62.5 149.82 41.87 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -146.55 69.04 1.18 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -172.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.78 -159.6 53.24 Favored Glycine 0 C--N 1.352 1.438 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -173.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -48.01 -35.11 10.42 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.058 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.33 146.49 36.72 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 119.765 1.166 . . . . 0.0 110.783 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -121.84 162.45 20.91 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.39 72.91 1.45 Allowed 'General case' 0 C--N 1.357 0.919 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -80.82 162.26 24.1 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 117.625 -1.179 . . . . 0.0 108.275 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -152.55 156.05 38.6 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.746 1.157 . . . . 0.0 110.831 165.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -129.69 95.99 4.13 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 . . . . . 0 C--N 1.356 0.865 0 CA-C-O 116.921 -1.514 . . . . 0.0 108.019 -173.306 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.8 t60 . . . . . 0 CA--C 1.511 -0.543 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.4 m -77.07 95.99 4.33 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.65 158.38 29.76 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.53 153.55 43.69 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 121.029 1.741 . . . . 0.0 112.339 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -127.38 69.75 1.3 Allowed 'General case' 0 C--N 1.359 1.011 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -77.48 148.16 35.51 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -169.37 168.92 9.32 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.542 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -128.89 129.96 46.2 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.82 148.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -166.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.27 16.96 55.25 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-O 116.101 -2.499 . . . . 0.0 111.647 -172.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -144.45 14.29 1.6 Allowed 'General case' 0 C--N 1.361 1.09 0 CA-C-N 121.458 2.629 . . . . 0.0 116.627 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 59.88 140.76 0.01 OUTLIER 'General case' 0 C--N 1.351 0.656 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 m -168.0 156.95 9.38 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.33 -1.319 . . . . 0.0 109.043 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -78.64 143.85 35.98 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.6 mt -138.71 144.2 30.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-O 117.604 -1.188 . . . . 0.0 108.725 -175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -83.56 -32.69 25.68 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.656 1.117 . . . . 0.0 111.646 -173.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.7 p . . . . . 0 CA--C 1.505 -0.766 0 O-C-N 123.727 0.642 . . . . 0.0 111.275 168.523 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -107.61 150.91 26.32 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.677 -1.154 . . . . 0.0 107.913 172.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -158.27 170.91 21.2 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.42 -1.276 . . . . 0.0 111.36 -171.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 m -112.08 100.85 9.18 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.79 145.03 12.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 105.971 -1.862 . . . . 0.0 105.971 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -136.42 -178.08 5.0 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 171.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -129.24 170.81 13.12 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -150.61 57.94 0.93 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.347 170.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.62 -103.59 3.05 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 117.609 -1.662 . . . . 0.0 109.739 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.53 42.15 1.98 Allowed Glycine 0 C--N 1.356 1.645 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -161.47 155.75 22.6 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.094 -0.955 . . . . 0.0 108.765 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.1 tp -117.64 152.19 35.7 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.214 -171.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.3 t -133.58 145.81 32.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.016 -1.468 . . . . 0.0 109.934 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.2 p -155.35 157.7 3.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 120.45 1.477 . . . . 0.0 110.126 170.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -147.48 125.19 11.83 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 34.1 m-85 -111.04 161.02 26.78 Favored Pre-proline 0 C--N 1.354 0.784 0 CA-C-O 115.793 -2.051 . . . . 0.0 106.189 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -78.57 61.39 7.93 Favored 'Trans proline' 0 C--N 1.358 1.064 0 CA-C-N 124.212 2.54 . . . . 0.0 109.273 173.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -170.23 -66.45 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -174.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.557 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 5.3 p90 -127.06 -174.58 3.19 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.36 155.85 45.89 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.71 157.05 34.44 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.962 1.255 . . . . 0.0 109.881 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 p -145.86 103.58 3.78 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.3 m -81.31 163.46 22.9 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -159.14 112.95 2.34 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.697 -1.144 . . . . 0.0 109.888 -169.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -81.27 149.01 5.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 119.682 1.128 . . . . 0.0 108.445 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.41 76.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.63 -85.74 0.75 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -136.92 58.11 1.74 Allowed 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -169.14 138.05 2.05 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 116.894 -1.526 . . . . 0.0 107.141 -172.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.2 tp -104.61 134.64 47.44 Favored 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 m -135.99 160.87 38.67 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 175.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -149.5 171.33 16.78 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.761 -1.114 . . . . 0.0 109.836 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.3 110.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.0 p -80.62 -179.52 7.26 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.077 -177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.7 m -165.08 148.48 8.44 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.194 -1.384 . . . . 0.0 111.151 171.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -156.15 67.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.868 0 CA-C-N 119.939 1.245 . . . . 0.0 110.595 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 55.53 29.31 53.47 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-O 117.779 -1.567 . . . . 0.0 113.198 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.67 -54.0 0.38 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.8 1.8 . . . . 0.0 111.57 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.88 155.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.1 m -145.32 145.11 31.09 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 115.81 -2.043 . . . . 0.0 106.501 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -132.66 105.81 7.41 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.626 1.557 . . . . 0.0 109.511 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -88.77 162.25 16.33 Favored 'General case' 0 C--N 1.361 1.099 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.342 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -160.0 173.67 15.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 117.648 -1.168 . . . . 0.0 109.422 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.82 81.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 -174.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.1 m -78.25 108.53 11.65 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -71.37 170.0 14.11 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 120.383 1.447 . . . . 0.0 110.113 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -105.22 83.02 1.91 Allowed 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.187 0.93 . . . . 0.0 108.566 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.61 -156.21 0.35 Allowed 'General case' 0 C--N 1.35 0.59 0 CA-C-O 116.539 -1.696 . . . . 0.0 106.731 -174.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.695 0 CA-C-N 120.971 1.714 . . . . 0.0 109.803 179.653 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 . . . . . 0 CA--C 1.508 -0.64 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 m -158.1 116.43 3.07 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.524 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.83 -173.49 35.14 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-N 120.509 1.504 . . . . 0.0 111.954 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -110.73 143.03 41.86 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -147.58 169.06 20.42 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.394 -1.289 . . . . 0.0 110.804 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.24 144.98 21.4 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.045 1.293 . . . . 0.0 110.704 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mtt -70.96 85.38 0.7 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 119.082 0.855 . . . . 0.0 109.687 -172.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -53.75 -46.65 70.95 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.434 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.5 t -146.57 160.77 41.72 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.256 -0.878 . . . . 0.0 109.996 -174.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -131.25 163.78 27.03 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.365 -1.302 . . . . 0.0 109.208 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -119.39 -59.91 1.78 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.983 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -123.28 43.58 2.91 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.507 1.049 . . . . 0.0 109.365 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 1.1 t80 -67.72 -47.14 70.2 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.492 -0.766 . . . . 0.0 112.975 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -62.4 -66.04 0.6 Allowed 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.749 1.159 . . . . 0.0 111.144 -169.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.21 -39.6 60.41 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.634 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -53.06 -48.52 67.63 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.948 1.249 . . . . 0.0 111.424 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -42.31 95.75 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -58.0 -40.96 82.03 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.271 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.57 -50.72 9.62 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.507 1.048 . . . . 0.0 108.755 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.0 tp -41.96 -40.86 2.32 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.945 -0.55 . . . . 0.0 109.942 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.4 65.65 0.64 Allowed Glycine 0 C--N 1.355 1.588 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 171.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.7 mm -121.96 159.81 24.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.992 -1.004 . . . . 0.0 108.695 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -83.69 132.06 34.89 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.711 -1.137 . . . . 0.0 112.518 -171.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.9 p -47.32 -36.11 8.93 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.497 1.044 . . . . 0.0 112.651 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -57.59 -51.93 67.5 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.197 0.908 . . . . 0.0 109.294 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -78.08 -26.33 14.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 117.488 -1.244 . . . . 0.0 110.657 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.04 -54.61 31.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -58.08 -34.48 70.18 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.401 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 34' ' ' PHE . 51.7 mtmt -70.81 -67.41 0.51 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 177.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.67 -29.51 0.3 Allowed 'General case' 0 C--N 1.349 0.554 0 CA-C-N 119.843 1.201 . . . . 0.0 112.865 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -69.81 -61.81 1.63 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 119.826 1.194 . . . . 0.0 109.387 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -76.32 -49.97 15.51 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -174.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LYS . 84.0 t80 -53.86 114.4 1.56 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 175.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -76.94 138.0 39.41 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.1 mt -101.17 147.89 7.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.9 t -104.22 156.06 5.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 m -136.14 131.1 34.27 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 117.53 -1.224 . . . . 0.0 108.389 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -124.5 148.51 47.68 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.69 142.03 29.04 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.405 -1.283 . . . . 0.0 109.868 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -139.19 81.6 1.85 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 171.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.48 146.02 52.69 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.493 -1.241 . . . . 0.0 109.578 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -113.16 -61.31 1.76 Allowed 'General case' 0 C--N 1.358 0.972 0 CA-C-N 119.131 0.878 . . . . 0.0 111.202 -173.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.88 69.47 0.04 OUTLIER Glycine 0 C--N 1.355 1.597 0 CA-C-N 119.773 1.17 . . . . 0.0 110.713 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 96.09 -50.78 0.01 OUTLIER 'General case' 0 C--N 1.352 0.693 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 -170.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -77.69 152.92 33.49 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 170.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 9.7 m-85 -128.07 163.45 24.56 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -134.27 65.25 1.58 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -69.01 164.47 22.29 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.8 m -155.33 159.22 39.79 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.547 164.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -152.0 144.28 24.0 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 116.946 -1.502 . . . . 0.0 107.803 173.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 C--N 1.358 0.942 0 CA-C-O 117.332 -1.318 . . . . 0.0 111.714 -161.412 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 19.6 t60 . . . . . 0 CA--C 1.51 -0.588 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.7 m -93.03 105.25 17.38 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 169.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 ttp -79.98 158.51 26.55 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 172.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.06 154.26 49.28 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 117.511 -1.233 . . . . 0.0 110.195 172.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -134.81 72.27 1.45 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -70.96 150.28 45.84 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 171.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 14.0 p90 -165.68 164.34 19.02 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.129 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.6 m -119.3 134.02 55.43 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.5 m -91.73 145.89 6.96 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 -171.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.34 19.57 76.12 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 117.205 -1.886 . . . . 0.0 109.826 -172.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -141.71 -64.3 0.44 Allowed 'General case' 0 C--N 1.36 1.033 0 CA-C-N 119.826 1.813 . . . . 0.0 110.697 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.259 8.5 pt-20 118.74 157.73 0.0 OUTLIER 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.886 1.274 . . . . 0.0 108.506 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.9 m -156.57 165.44 36.28 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.602 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -77.55 85.41 3.91 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.5 mt -84.98 133.36 29.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 -173.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -86.5 -19.03 30.13 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 116.573 -1.679 . . . . 0.0 112.519 -171.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.7 p . . . . . 0 C--N 1.353 0.738 0 CA-C-N 121.112 1.778 . . . . 0.0 112.686 169.246 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -108.62 139.16 43.79 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.64 143.9 20.09 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 116.873 -1.537 . . . . 0.0 110.684 -163.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -94.89 107.45 19.48 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.474 -1.251 . . . . 0.0 111.26 -172.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.5 t -82.73 146.34 7.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 175.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -141.77 -171.53 3.36 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.1 ttm -143.93 149.29 36.6 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.316 -174.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -128.77 76.13 1.69 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 171.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.06 -111.65 4.32 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 117.6 -1.666 . . . . 0.0 109.742 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.87 36.46 3.88 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-N 119.468 1.634 . . . . 0.0 110.931 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -144.75 152.79 40.91 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.727 -1.606 . . . . 0.0 107.336 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tp -117.68 152.01 36.09 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.34 1.427 . . . . 0.0 110.566 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.1 t -130.44 145.66 35.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 CA-C-O 116.741 -1.599 . . . . 0.0 110.105 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -154.65 157.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.518 1.508 . . . . 0.0 110.208 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -142.97 128.85 19.45 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.856 -1.068 . . . . 0.0 108.321 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -104.06 160.86 24.71 Favored Pre-proline 0 C--N 1.354 0.792 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -76.49 55.13 4.61 Favored 'Trans proline' 0 C--N 1.355 0.896 0 CA-C-N 124.169 2.525 . . . . 0.0 110.619 173.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -168.49 -71.98 0.02 OUTLIER 'General case' 0 C--N 1.356 0.89 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -174.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -111.1 178.33 4.38 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.401 ' CE1' HG23 ' A' ' 100' ' ' THR . 0.7 OUTLIER -135.57 156.91 48.12 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 176.183 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -153.99 153.5 32.09 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.706 1.139 . . . . 0.0 109.329 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.401 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.6 OUTLIER -139.01 103.36 4.76 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 178.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.3 m -77.31 164.0 25.94 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -158.03 129.98 6.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.07 -1.443 . . . . 0.0 111.517 -174.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.11 147.83 7.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 119.838 1.199 . . . . 0.0 108.075 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.7 t -139.64 77.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.25 -79.65 0.89 Allowed Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.03 58.89 1.63 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -169.4 143.7 2.9 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 116.703 -1.617 . . . . 0.0 108.163 -174.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.5 tp -111.42 137.83 48.7 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 104.077 -2.564 . . . . 0.0 104.077 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.27 150.29 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -138.63 165.25 27.39 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.265 -1.35 . . . . 0.0 108.446 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -148.11 98.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.36 175.91 8.68 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.812 -1.089 . . . . 0.0 108.081 -176.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.4 m -164.76 144.93 7.42 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-O 116.361 -1.78 . . . . 0.0 111.267 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.7 tt -155.96 65.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-N 121.028 1.74 . . . . 0.0 110.957 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 48.9 44.8 31.93 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-O 118.598 -1.112 . . . . 0.0 112.358 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 154.13 -45.34 0.56 Allowed Glycine 0 C--N 1.354 1.549 0 CA-C-O 118.491 -1.172 . . . . 0.0 112.365 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.5 t -119.33 158.23 20.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.18 -174.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.4 m -130.93 171.41 13.22 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.418 -1.277 . . . . 0.0 108.132 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -144.25 91.74 2.24 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.096 1.316 . . . . 0.0 108.422 167.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -83.2 151.89 25.47 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-O 118.026 -0.988 . . . . 0.0 111.102 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.57 169.18 23.29 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-O 118.161 -0.923 . . . . 0.0 108.731 -174.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.14 79.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.4 m -70.36 89.43 0.67 Allowed 'General case' 0 C--N 1.353 0.742 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -69.44 171.84 8.11 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 115.756 -2.068 . . . . 0.0 108.568 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.417 ' CZ ' ' O ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -107.65 105.52 15.43 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.47 1.941 . . . . 0.0 106.449 -173.173 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -175.12 -155.4 0.05 Allowed 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.669 -1.634 . . . . 0.0 106.814 -169.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.686 0 CA-C-N 121.085 1.766 . . . . 0.0 110.752 176.37 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 CA--C 1.511 -0.534 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.1 m -164.95 115.53 1.14 Allowed 'General case' 0 C--N 1.349 0.587 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.45 172.54 24.76 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 120.079 1.309 . . . . 0.0 111.101 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 6' ' ' PHE . 15.4 ptmt -88.31 159.73 17.95 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 55.0 m-85 -160.68 170.9 19.86 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 116.775 -1.584 . . . . 0.0 110.931 177.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -153.35 147.57 25.75 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.937 1.699 . . . . 0.0 111.676 167.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 ttp -64.18 145.67 55.57 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.03 -60.96 0.16 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.034 1.288 . . . . 0.0 109.705 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 m -86.35 161.66 18.59 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 171.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -170.5 146.52 2.79 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 116.825 -1.56 . . . . 0.0 106.819 -172.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -159.93 158.77 31.37 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.99 1.723 . . . . 0.0 111.109 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 49.48 27.02 1.87 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.847 1.203 . . . . 0.0 112.229 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -42.15 11.46 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 118.574 0.625 . . . . 0.0 110.406 -173.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -52.77 -56.16 17.65 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.775 0.716 . . . . 0.0 110.3 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.42 -49.13 76.7 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.029 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -46.15 -38.57 8.38 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 119.923 1.238 . . . . 0.0 111.404 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 41.8 mtt -78.5 -34.86 47.15 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.78 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -64.14 -38.83 92.46 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.728 1.149 . . . . 0.0 108.766 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.3 -50.52 53.01 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.553 1.069 . . . . 0.0 108.356 175.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 tp -53.92 -40.1 66.43 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.944 -173.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.97 73.77 0.83 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.7 mm -133.8 158.97 42.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 117.741 -1.123 . . . . 0.0 108.942 -173.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 t -91.21 140.64 29.61 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 119.3 0.955 . . . . 0.0 111.656 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.7 p -51.7 -36.33 46.25 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -170.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -61.09 -47.5 86.04 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.003 1.274 . . . . 0.0 108.965 -176.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -75.77 -22.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 CA-C-O 117.266 -1.35 . . . . 0.0 111.178 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.65 -57.89 9.79 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 121.195 1.816 . . . . 0.0 106.44 171.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -56.94 -33.19 66.76 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.491 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -66.34 -51.87 52.87 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.2 -44.4 0.86 Allowed 'General case' 0 C--N 1.355 0.836 0 O-C-N 123.224 0.327 . . . . 0.0 111.804 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -67.95 -48.39 66.01 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.981 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -92.11 47.43 1.33 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.029 0.831 . . . . 0.0 110.015 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -152.19 116.6 5.01 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.609 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -87.86 75.06 8.93 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 mm -44.89 128.67 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-O 116.843 -1.551 . . . . 0.0 107.12 176.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.1 t -85.53 154.14 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.919 0 N-CA-C 105.512 -2.033 . . . . 0.0 105.512 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 m -142.88 136.72 28.94 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -136.42 145.65 45.52 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t -139.51 147.39 24.27 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.662 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -144.62 93.71 2.45 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -63.7 147.7 50.97 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -143.96 66.59 1.28 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -170.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.88 -159.12 53.36 Favored Glycine 0 C--N 1.352 1.444 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 -172.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -49.75 -34.64 19.72 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.773 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.92 151.25 33.85 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.899 1.227 . . . . 0.0 110.838 174.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -127.52 164.49 21.84 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.62 83.72 2.0 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 172.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 -84.19 166.81 17.26 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.726 -1.13 . . . . 0.0 109.06 -174.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 m -153.18 153.63 33.12 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.86 166.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -133.38 84.95 2.17 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 . . . . . 0 C--N 1.356 0.886 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.309 -168.188 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 CA--C 1.507 -0.68 0 N-CA-C 105.167 -2.16 . . . . 0.0 105.167 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 m -80.46 103.61 10.44 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 172.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 ttp -82.23 150.97 27.05 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.19 150.52 35.07 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 121.371 1.896 . . . . 0.0 112.894 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -132.11 75.26 1.63 Allowed 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.127 0.892 . . . . 0.0 108.968 -175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -74.5 149.68 40.17 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -167.13 169.35 12.81 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.129 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -128.94 132.77 47.66 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.42 147.66 5.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -165.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.41 10.15 56.67 Favored Glycine 0 C--N 1.351 1.398 0 CA-C-O 116.195 -2.447 . . . . 0.0 111.562 -172.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -137.36 1.11 2.37 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 120.992 2.396 . . . . 0.0 116.112 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 63.28 138.49 0.02 OUTLIER 'General case' 0 C--N 1.351 0.646 0 CA-C-N 120.823 1.647 . . . . 0.0 114.29 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.4 m -165.12 157.06 15.29 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.142 -1.409 . . . . 0.0 108.347 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -75.2 144.1 42.84 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.286 1.403 . . . . 0.0 108.04 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -139.93 144.96 27.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.168 -1.396 . . . . 0.0 107.366 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -89.37 -32.84 17.11 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.217 -1.373 . . . . 0.0 111.457 -172.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.503 -0.837 0 CA-C-N 119.593 1.088 . . . . 0.0 110.721 172.463 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 CA--C 1.509 -0.609 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -134.08 148.32 51.01 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -156.36 162.92 40.02 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 117.163 -1.398 . . . . 0.0 110.324 -172.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.2 m -101.47 96.65 7.28 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.22 144.38 13.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 105.442 -2.058 . . . . 0.0 105.442 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -139.73 176.7 8.51 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 173.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.1 mtp -132.14 170.7 14.63 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -160.53 70.77 0.42 Allowed 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.114 0.884 . . . . 0.0 111.008 169.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.08 -110.24 3.8 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-O 117.464 -1.742 . . . . 0.0 108.877 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.74 42.03 2.04 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 108.624 -1.791 . . . . 0.0 108.624 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.34 152.55 32.22 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.023 0.912 . . . . 0.0 108.867 -176.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.7 tp -123.32 154.58 38.7 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.41 -168.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.0 t -138.49 143.55 32.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-O 116.505 -1.712 . . . . 0.0 109.965 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.18 156.03 5.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 120.855 1.661 . . . . 0.0 110.423 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -149.37 118.53 6.78 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.82 -1.086 . . . . 0.0 108.407 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.515 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 17.9 m-85 -107.26 158.02 34.11 Favored Pre-proline 0 C--N 1.357 0.903 0 CA-C-O 115.784 -2.055 . . . . 0.0 106.04 -177.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.1 71.03 5.21 Favored 'Trans proline' 0 C--N 1.358 1.046 0 CA-C-N 123.825 2.402 . . . . 0.0 107.547 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 178.06 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.344 -170.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.515 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 10.2 p90 -155.53 -178.54 7.35 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.472 ' CE1' HG23 ' A' ' 100' ' ' THR . 1.3 t-80 -136.6 155.23 50.2 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 176.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.55 150.93 27.0 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.959 -1.02 . . . . 0.0 108.713 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.472 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -140.32 110.53 6.6 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 178.331 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 t -84.59 163.88 19.04 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 120.166 1.348 . . . . 0.0 108.429 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -159.97 100.42 1.41 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.531 1.06 . . . . 0.0 110.082 -170.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.55 145.99 13.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 CA-C-O 117.778 -1.106 . . . . 0.0 110.33 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.25 82.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.961 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 62.31 -85.9 0.04 OUTLIER Glycine 0 C--N 1.355 1.597 0 CA-C-O 118.69 -1.061 . . . . 0.0 110.456 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.51 55.96 1.66 Allowed 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.98 171.16 18.77 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tp -140.65 117.57 11.11 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 104.87 -2.271 . . . . 0.0 104.87 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.47 160.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 120.621 1.555 . . . . 0.0 108.985 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -139.2 157.26 46.24 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.313 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.6 t -135.31 95.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.77 172.39 13.18 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.4 m -165.97 150.98 8.45 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 116.331 -1.795 . . . . 0.0 110.552 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.7 tt -159.32 -52.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.822 0 CA-C-N 120.895 1.68 . . . . 0.0 114.368 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.41 69.8 0.23 Allowed Glycine 0 C--N 1.353 1.503 0 CA-C-N 120.826 1.648 . . . . 0.0 109.885 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.37 26.89 72.49 Favored Glycine 0 C--N 1.353 1.476 0 CA-C-O 118.165 -1.353 . . . . 0.0 110.482 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.5 t -147.42 149.56 15.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -139.28 164.36 30.04 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.442 -1.266 . . . . 0.0 107.994 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -133.5 94.95 3.4 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 168.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -78.52 147.03 34.0 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.261 0.937 . . . . 0.0 109.374 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -153.91 152.31 30.46 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 116.257 -1.83 . . . . 0.0 108.109 -171.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 16.1 t -136.8 83.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.813 0 CA-C-N 120.235 1.38 . . . . 0.0 108.631 -168.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 m -72.2 109.41 5.94 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.43 176.89 2.12 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 116.784 -1.579 . . . . 0.0 110.017 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -106.85 72.69 0.91 Allowed 'General case' 0 C--N 1.36 1.044 0 CA-C-N 120.173 1.351 . . . . 0.0 111.427 -169.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.55 -158.99 0.14 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.641 0 CA-C-N 120.83 1.65 . . . . 0.0 109.721 174.573 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 . . . . . 0 CA--C 1.512 -0.511 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -164.34 119.02 1.45 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.122 -1.418 . . . . 0.0 107.326 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.3 -178.47 27.74 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 120.38 1.445 . . . . 0.0 110.972 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -99.59 145.33 27.67 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -144.86 163.62 33.54 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 116.505 -1.712 . . . . 0.0 108.888 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -144.79 132.86 21.48 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.752 1.614 . . . . 0.0 109.429 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttp -52.88 130.22 32.61 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.753 -1.594 . . . . 0.0 107.87 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -106.88 -52.61 2.74 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.299 1.409 . . . . 0.0 109.133 172.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.7 p -135.63 166.46 23.19 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.305 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -132.06 171.94 13.0 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -156.07 133.63 10.95 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.87 -1.538 . . . . 0.0 108.022 174.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 61.0 14.23 5.17 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.131 1.332 . . . . 0.0 113.995 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 2.9 p90 -71.98 -40.68 68.43 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.536 1.516 . . . . 0.0 110.372 177.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 8.2 t0 -60.6 -49.45 77.48 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 120.075 -0.65 . . . . 0.0 109.257 -170.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.69 -47.08 85.18 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.934 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -52.31 -39.05 60.08 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 118.957 -1.097 . . . . 0.0 111.048 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -42.55 76.49 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -62.82 -32.12 73.26 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.036 -174.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -77.87 -54.51 6.23 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 119.793 1.179 . . . . 0.0 108.76 171.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.4 tp -50.41 -41.16 51.92 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.587 -169.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.78 70.62 0.62 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -132.78 160.99 42.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.907 -172.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -80.06 156.91 26.88 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.29 0.95 . . . . 0.0 113.542 -170.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.7 p -61.15 -43.6 98.63 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 119.198 -0.429 . . . . 0.0 110.497 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.17 -52.23 61.83 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.049 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 m -74.73 -33.36 30.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.874 -174.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.9 mt -51.52 -53.91 14.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-N 119.907 1.231 . . . . 0.0 108.815 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -58.63 -34.33 71.06 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 119.501 -0.88 . . . . 0.0 110.509 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.77 -51.41 22.83 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.14 -0.933 . . . . 0.0 109.496 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.26 -46.16 1.49 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.846 0.748 . . . . 0.0 110.319 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -62.13 -58.99 5.74 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.479 -0.772 . . . . 0.0 109.041 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -100.81 53.0 0.86 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.332 0.515 . . . . 0.0 111.073 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.25 115.18 6.09 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.413 -1.279 . . . . 0.0 109.166 174.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -71.47 78.88 0.78 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.056 1.298 . . . . 0.0 108.087 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.1 mm -51.28 145.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 117.837 -1.078 . . . . 0.0 108.115 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -98.51 153.71 4.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.2 m -143.84 143.76 31.46 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -141.05 146.69 37.51 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.85 150.28 19.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-N 119.954 1.252 . . . . 0.0 111.646 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -144.84 106.38 4.24 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 171.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -82.65 87.47 6.73 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -81.33 70.42 8.18 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.52 -155.82 52.47 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 119.968 -1.11 . . . . 0.0 111.701 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -48.32 -32.87 7.99 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.654 -1.165 . . . . 0.0 110.751 176.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -84.07 150.88 25.29 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.217 1.371 . . . . 0.0 109.079 174.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -124.78 162.99 23.09 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.21 79.53 1.81 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 174.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -88.09 161.63 17.22 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 117.769 -1.11 . . . . 0.0 108.879 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.0 m -152.66 152.3 31.59 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 117.364 -1.303 . . . . 0.0 111.295 165.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -126.83 83.28 2.15 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 . . . . . 0 CA--C 1.503 -0.851 0 CA-C-O 117.697 -1.144 . . . . 0.0 109.125 -169.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 CA--C 1.51 -0.588 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.8 m -94.28 102.68 14.69 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 170.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.1 ttp -77.78 151.27 34.11 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 104.112 -2.551 . . . . 0.0 104.112 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.84 154.22 39.19 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.648 2.022 . . . . 0.0 113.854 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -128.29 70.93 1.37 Allowed 'General case' 0 C--N 1.36 1.056 0 O-C-N 123.955 0.784 . . . . 0.0 109.629 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -74.23 146.25 43.45 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 169.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -171.22 169.79 6.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.442 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.3 m -126.14 138.21 53.65 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.36 153.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -168.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.34 22.32 58.45 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-O 117.405 -1.775 . . . . 0.0 109.779 -171.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -141.05 -64.13 0.46 Allowed 'General case' 0 C--N 1.359 1.009 0 CA-C-N 119.471 1.636 . . . . 0.0 109.995 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.25 10.9 pt-20 119.03 155.31 0.0 OUTLIER 'General case' 0 C--N 1.359 0.986 0 C-N-CA 124.714 1.206 . . . . 0.0 107.785 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -163.02 166.05 24.14 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.984 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -77.81 139.66 39.34 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 170.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.1 mt -135.26 142.07 40.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 120.085 1.312 . . . . 0.0 107.657 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -75.42 -41.05 56.97 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.036 1.289 . . . . 0.0 111.866 -171.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 p . . . . . 0 C--N 1.35 0.59 0 O-C-N 124.139 0.899 . . . . 0.0 112.616 178.108 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.682 -1.151 . . . . 0.0 107.932 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -102.8 136.49 42.53 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 170.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -144.99 158.87 43.68 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 116.532 -1.699 . . . . 0.0 108.824 -173.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.3 m -102.43 103.32 13.7 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.821 1.191 . . . . 0.0 108.211 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -76.56 146.5 8.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -139.69 177.91 7.61 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -133.21 168.35 18.7 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 118.405 0.548 . . . . 0.0 110.097 -173.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.5 67.71 1.22 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.443 1.089 . . . . 0.0 108.494 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.82 -90.05 0.77 Allowed Glycine 0 C--N 1.354 1.541 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.545 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -122.54 41.77 1.76 Allowed Glycine 0 C--N 1.355 1.634 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.06 154.56 37.23 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.851 -1.547 . . . . 0.0 107.409 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 tp -126.51 153.45 45.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.403 1.456 . . . . 0.0 112.259 -166.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.4 t -139.33 145.02 27.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.638 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 p -155.54 157.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 120.368 1.44 . . . . 0.0 110.358 171.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -148.57 120.0 7.92 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.458 -1.258 . . . . 0.0 107.747 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.449 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 15.8 m-85 -107.41 157.81 34.73 Favored Pre-proline 0 C--N 1.357 0.921 0 CA-C-O 115.917 -1.992 . . . . 0.0 106.575 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.39 73.51 2.74 Favored 'Trans proline' 0 C--N 1.358 1.037 0 CA-C-N 123.381 2.243 . . . . 0.0 107.672 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 177.07 -50.46 0.01 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.559 -174.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.449 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 7.4 p90 -152.89 179.88 8.26 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.233 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -132.25 153.99 50.09 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 119.659 1.118 . . . . 0.0 108.011 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -160.18 151.44 19.42 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 118.228 -0.892 . . . . 0.0 109.73 -174.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.78 110.69 4.78 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -172.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -90.32 164.89 14.18 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.273 1.397 . . . . 0.0 108.47 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -154.86 131.58 10.68 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.363 -1.303 . . . . 0.0 109.924 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 mm -93.32 147.74 5.25 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.1 t -137.18 75.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.05 -85.32 0.8 Allowed Glycine 0 C--N 1.354 1.574 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -135.05 60.56 1.7 Allowed 'General case' 0 C--N 1.353 0.735 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -168.82 142.58 3.01 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.102 -1.428 . . . . 0.0 107.401 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.2 tp -114.44 137.58 51.66 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.49 168.85 23.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 119.791 1.178 . . . . 0.0 108.83 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -153.46 151.97 30.46 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.586 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.41 103.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.6 p -78.07 -179.42 6.12 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.518 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.5 m -168.9 155.43 6.84 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 116.308 -1.806 . . . . 0.0 109.985 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.7 tt -155.4 -52.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 120.988 1.722 . . . . 0.0 112.989 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -140.91 -77.43 0.05 OUTLIER Glycine 0 C--N 1.354 1.557 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.99 34.36 2.99 Favored Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 173.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.6 t -144.77 151.86 15.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -137.43 171.1 14.98 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.274 -1.346 . . . . 0.0 107.668 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.76 86.63 2.23 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.596 1.544 . . . . 0.0 109.591 170.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.06 151.2 44.78 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.421 1.464 . . . . 0.0 109.223 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -163.3 152.56 14.79 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 116.208 -1.853 . . . . 0.0 109.948 -172.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 36.0 m -134.64 98.53 2.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-N 120.589 1.541 . . . . 0.0 110.294 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.9 m -87.18 99.65 12.1 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.36 171.24 0.82 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.333 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -107.31 95.65 5.86 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.62 -158.3 0.31 Allowed 'General case' 0 C--N 1.35 0.629 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -171.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.719 0 CA-C-N 120.272 1.397 . . . . 0.0 111.21 -177.702 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 CA--C 1.513 -0.455 0 CA-C-O 119.261 -0.4 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m -164.27 121.73 1.71 Allowed 'General case' 0 C--N 1.351 0.641 0 CA-C-O 117.343 -1.313 . . . . 0.0 108.05 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.55 178.23 26.1 Favored Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.31 -1.272 . . . . 0.0 110.747 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -94.05 148.06 22.53 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 172.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -147.28 169.92 18.37 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 116.513 -1.708 . . . . 0.0 109.149 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -157.04 143.98 18.52 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 121.405 1.911 . . . . 0.0 111.354 171.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.2 mtm -62.5 158.99 16.57 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.695 0.68 . . . . 0.0 110.611 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -159.81 -59.19 0.06 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.11 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m -107.42 164.47 12.17 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 30.4 tt0 -161.38 155.45 22.4 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.331 -1.318 . . . . 0.0 110.759 -166.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -159.99 135.31 8.14 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-O 116.938 -1.506 . . . . 0.0 111.31 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 53.45 41.3 32.12 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-N 121.242 1.837 . . . . 0.0 110.4 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -96.73 -53.38 3.57 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 118.476 -0.774 . . . . 0.0 109.299 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.98 -58.0 8.46 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.553 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.32 -51.09 57.52 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 119.442 1.019 . . . . 0.0 109.823 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -52.99 -49.23 66.6 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 118.717 -1.193 . . . . 0.0 111.806 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 32.5 mmm -75.19 -48.42 23.62 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 118.615 0.643 . . . . 0.0 109.861 -173.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -38.67 -47.4 1.34 Allowed 'General case' 0 C--N 1.351 0.659 0 O-C-N 123.31 0.381 . . . . 0.0 110.913 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.38 -36.09 17.98 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.103 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -53.14 -42.07 65.73 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.059 0.845 . . . . 0.0 108.773 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.42 66.21 0.19 Allowed Glycine 0 C--N 1.356 1.65 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.4 mm -134.38 157.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-O 117.478 -1.248 . . . . 0.0 108.774 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 t -91.4 137.38 32.41 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.618 1.099 . . . . 0.0 112.275 -175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.2 t -48.86 -41.63 33.79 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -173.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -57.64 -46.6 83.95 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.018 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.86 -27.74 18.67 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.282 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.23 -56.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -56.38 -27.87 57.48 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.347 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.61 -61.45 2.51 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.278 1.399 . . . . 0.0 109.33 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.67 -31.29 47.13 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 121.146 1.794 . . . . 0.0 111.339 -173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -67.19 -61.66 1.81 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.261 -0.975 . . . . 0.0 109.484 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -69.21 -55.2 11.28 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.793 -177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -71.43 134.1 46.37 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.454 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -81.4 96.69 7.43 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.84 141.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 106.236 -1.765 . . . . 0.0 106.236 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.9 t -94.77 154.2 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.892 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.7 m -136.13 121.43 19.18 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 117.083 -1.437 . . . . 0.0 108.138 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -117.47 152.89 34.11 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.3 t -144.36 147.97 18.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-O 118.097 -0.954 . . . . 0.0 108.769 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -146.59 91.86 2.09 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 164.6 23.67 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.256 -173.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -147.48 67.52 1.13 Allowed 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -171.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.79 -151.06 49.6 Favored Glycine 0 C--N 1.351 1.401 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 -173.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -48.28 -38.41 18.7 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.379 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.25 156.07 31.69 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.65 1.113 . . . . 0.0 110.833 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.94 164.36 26.3 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.904 0.775 . . . . 0.0 109.854 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -135.99 67.93 1.46 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -71.39 162.82 28.82 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -174.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 m -156.7 161.12 39.85 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 119.02 -1.072 . . . . 0.0 110.05 164.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -151.71 143.64 23.8 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 116.838 -1.554 . . . . 0.0 107.938 172.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 C--N 1.358 0.971 0 CA-C-O 117.305 -1.331 . . . . 0.0 111.954 -160.854 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.422 ' CD2' ' C ' ' A' ' 57' ' ' HIS . 34.9 t60 . . . . . 0 CA--C 1.513 -0.478 0 CA-C-O 117.744 -1.122 . . . . 0.0 109.041 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 m -135.5 109.41 8.15 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 168.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.4 ttp -76.28 149.38 37.12 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 173.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -140.19 144.18 36.47 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 120.126 1.33 . . . . 0.0 110.556 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -132.33 73.77 1.55 Allowed 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -173.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.73 151.28 46.86 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 170.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -166.26 168.79 14.85 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.784 -1.103 . . . . 0.0 111.252 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 m -126.26 131.08 51.98 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -89.87 143.09 11.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.42 19.42 74.43 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-O 117.311 -1.827 . . . . 0.0 109.642 -175.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -137.77 -71.88 0.43 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 119.461 1.63 . . . . 0.0 109.518 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.273 14.1 pt-20 124.61 150.56 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -165.4 159.98 17.58 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.785 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -67.21 132.11 47.12 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 106.328 -1.731 . . . . 0.0 106.328 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.0 mt -130.7 134.54 61.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -87.44 123.08 31.99 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.505 -0.763 0 CA-C-N 119.425 1.012 . . . . 0.0 113.028 -168.073 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 CA--C 1.509 -0.623 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.08 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -100.86 82.26 2.38 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -84.79 163.59 19.01 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 117.406 -1.283 . . . . 0.0 109.932 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.1 m -102.99 106.03 16.47 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.879 -1.058 . . . . 0.0 109.008 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.15 150.14 4.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-O 117.335 -1.317 . . . . 0.0 107.671 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -144.75 -177.67 5.63 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 38.5 ttm -139.54 148.97 43.33 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 116.954 -1.498 . . . . 0.0 108.968 -173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -141.09 62.74 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.379 1.445 . . . . 0.0 110.399 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 64.93 80.59 0.14 Allowed Glycine 0 C--N 1.353 1.526 0 C-N-CA 119.906 -1.14 . . . . 0.0 110.999 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 65.52 37.37 93.62 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -158.11 149.98 21.72 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.639 -1.648 . . . . 0.0 108.092 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tp -120.39 157.97 28.15 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.934 1.243 . . . . 0.0 109.197 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.2 t -143.47 141.73 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.832 0 CA-C-O 116.115 -1.898 . . . . 0.0 108.885 -172.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -155.89 157.03 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 121.09 1.768 . . . . 0.0 110.232 173.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -149.92 121.49 8.0 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.525 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.481 ' CD2' ' HB2' ' A' ' 81' ' ' ALA . 10.4 m-85 -112.57 157.14 41.1 Favored Pre-proline 0 C--N 1.356 0.89 0 CA-C-O 115.949 -1.977 . . . . 0.0 105.734 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.81 74.98 2.73 Favored 'Trans proline' 0 C--N 1.356 0.971 0 CA-C-N 123.672 2.347 . . . . 0.0 107.7 170.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 177.37 -51.05 0.01 OUTLIER 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.998 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 2.9 p90 -154.24 -175.99 5.66 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.461 ' CE1' HG23 ' A' ' 100' ' ' THR . 0.7 OUTLIER -134.87 157.47 46.74 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 175.595 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.63 150.71 28.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.591 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.461 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.8 OUTLIER -134.3 108.99 8.53 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 174.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.4 m -80.91 163.81 23.07 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 117.739 -1.124 . . . . 0.0 107.996 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -161.11 130.08 4.63 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.196 -1.383 . . . . 0.0 110.835 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mm -89.67 145.84 6.92 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 CA-C-N 119.71 1.141 . . . . 0.0 107.937 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -136.23 73.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.862 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.13 -86.05 0.58 Allowed Glycine 0 C--N 1.355 1.605 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -135.26 57.7 1.79 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -170.37 133.36 1.07 Allowed 'General case' 0 C--N 1.351 0.635 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -175.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.5 tp -102.2 142.02 34.1 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 104.907 -2.257 . . . . 0.0 104.907 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.19 165.13 28.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-N 119.777 1.171 . . . . 0.0 108.564 175.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -146.14 162.1 38.72 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.188 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.6 t -138.44 93.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -72.77 170.08 15.37 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 65.9 m -166.13 156.41 12.52 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 116.927 -1.511 . . . . 0.0 110.671 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -156.1 -51.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-N 120.023 1.283 . . . . 0.0 112.587 174.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -139.0 -78.56 0.06 OUTLIER Glycine 0 C--N 1.356 1.639 0 N-CA-C 108.19 -1.964 . . . . 0.0 108.19 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.23 33.71 3.26 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 67.6 t -141.28 154.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -155.05 130.67 9.88 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 116.458 -1.734 . . . . 0.0 108.077 -174.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -100.3 95.62 6.9 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 -178.135 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -81.94 143.54 31.57 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.301 -1.333 . . . . 0.0 108.084 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.432 ' HB3' ' CE1' ' A' ' 119' ' ' TYR . 20.2 ptt180 -150.74 173.21 14.45 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-O 116.975 -1.488 . . . . 0.0 108.473 -173.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.9 m -141.84 112.0 2.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.8 m -94.03 102.07 14.13 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 104.906 -2.257 . . . . 0.0 104.906 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -62.54 167.02 4.67 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 116.955 -1.498 . . . . 0.0 109.804 -176.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.05 95.04 5.5 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -175.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.64 -154.66 0.14 Allowed 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.116 -1.421 . . . . 0.0 107.518 -173.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.658 0 CA-C-N 120.762 1.619 . . . . 0.0 110.232 -178.343 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 . . . . . 0 CA--C 1.509 -0.597 0 CA-C-O 119.314 -0.374 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.0 m -158.14 122.28 4.12 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.909 -1.043 . . . . 0.0 108.208 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.13 -174.15 37.68 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 118.419 -1.212 . . . . 0.0 111.067 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -112.39 142.81 44.47 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 173.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -147.94 168.67 21.66 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 116.948 -1.501 . . . . 0.0 109.749 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -152.81 153.43 33.11 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 120.782 1.628 . . . . 0.0 110.927 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.5 ttm -70.51 141.77 51.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.215 -1.374 . . . . 0.0 110.507 -170.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -115.8 -57.56 2.21 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.023 0.827 . . . . 0.0 109.176 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -146.18 174.34 11.41 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.89 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -138.86 174.39 10.57 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.703 -1.142 . . . . 0.0 109.667 -173.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -118.34 -61.09 1.71 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.822 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -126.6 34.83 4.73 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.597 1.09 . . . . 0.0 110.591 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 39.4 t80 -56.72 -52.7 63.97 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 118.591 -0.719 . . . . 0.0 112.923 -176.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.24 -56.37 20.73 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.878 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.15 -51.83 67.42 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.384 -0.927 . . . . 0.0 110.01 -175.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -43.62 -40.13 3.93 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.717 176.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.473 ' SD ' ' CE1' ' A' ' 14' ' ' TYR . 16.1 mtt -82.0 -32.29 30.65 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 117.51 -1.234 . . . . 0.0 110.856 -177.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -34.29 59.73 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.143 1.338 . . . . 0.0 109.937 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.0 0.84 13.16 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.209 -1.377 . . . . 0.0 114.137 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.2 tp -70.8 -48.15 55.73 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 164.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.95 62.75 0.08 OUTLIER Glycine 0 C--N 1.359 1.825 0 CA-C-O 117.691 -1.616 . . . . 0.0 110.981 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.8 mm -128.75 156.33 41.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 CA-C-N 119.009 1.404 . . . . 0.0 108.572 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 t -81.09 149.6 29.13 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.863 -1.065 . . . . 0.0 112.972 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.5 p -72.58 69.55 0.88 Allowed 'General case' 0 C--N 1.36 1.022 0 CA-C-N 119.126 0.876 . . . . 0.0 111.874 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -172.85 -56.01 0.02 OUTLIER 'General case' 0 C--N 1.35 0.589 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.1 t -55.47 -41.93 65.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.7 mt -48.37 -64.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 174.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -51.16 -31.75 20.89 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.767 -173.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -67.13 -70.02 0.28 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.401 -1.285 . . . . 0.0 110.133 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.95 -26.57 6.13 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.559 1.527 . . . . 0.0 112.316 -168.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -60.61 -63.04 1.44 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.046 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -72.02 -53.37 13.15 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.356 -0.937 . . . . 0.0 109.141 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -57.11 115.91 2.92 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.773 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -75.09 101.04 4.4 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.9 146.02 12.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.0 t -98.02 155.98 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 m -141.67 125.29 16.82 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 117.172 -1.394 . . . . 0.0 109.751 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -117.29 154.49 31.13 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.7 t -141.59 144.79 25.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.422 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -146.01 102.64 3.66 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.18 166.36 6.2 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.735 1.152 . . . . 0.0 110.822 -175.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -150.02 59.32 0.98 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.21 -151.64 50.15 Favored Glycine 0 C--N 1.353 1.502 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -49.52 -34.47 17.41 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.823 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -77.06 147.65 36.58 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.13 1.332 . . . . 0.0 110.276 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -119.99 167.59 12.01 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.38 75.53 1.53 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -81.86 162.68 22.71 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 117.514 -1.231 . . . . 0.0 109.316 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 m -155.21 149.42 25.92 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.412 -1.28 . . . . 0.0 111.806 166.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -121.95 95.44 4.66 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 . . . . . 0 CA--C 1.501 -0.91 0 CA-C-O 117.262 -1.351 . . . . 0.0 109.425 -172.396 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.9 m -79.74 97.95 6.81 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.5 ttp -75.33 152.93 38.09 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 173.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.42 153.86 40.12 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 121.026 1.739 . . . . 0.0 112.603 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -131.83 75.52 1.65 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -78.37 144.67 35.76 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 172.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -167.36 171.44 10.59 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.733 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.6 m -130.03 133.98 47.1 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.58 152.06 3.4 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 CA-C-N 118.787 0.722 . . . . 0.0 109.387 -166.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.06 23.55 59.61 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-O 116.82 -2.1 . . . . 0.0 110.339 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -139.24 -48.83 0.49 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 119.897 1.848 . . . . 0.0 114.225 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 104.21 132.18 0.01 OUTLIER 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.518 1.053 . . . . 0.0 109.222 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.6 m -160.18 159.84 32.13 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.188 -1.387 . . . . 0.0 108.575 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -71.04 145.47 49.92 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.312 1.415 . . . . 0.0 107.521 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.5 mt -134.87 139.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.93 -34.93 51.04 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 120.337 1.426 . . . . 0.0 110.527 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.281 6.3 p . . . . . 0 CA--C 1.504 -0.812 0 CA-C-O 117.658 -1.163 . . . . 0.0 108.268 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 CA--C 1.514 -0.425 0 N-CA-C 105.796 -1.927 . . . . 0.0 105.796 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -120.64 151.4 39.51 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 171.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -159.5 157.97 31.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 116.947 -1.502 . . . . 0.0 110.973 -169.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 m -103.44 102.88 12.81 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -75.02 144.78 11.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.44 -179.22 5.61 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 171.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -129.46 167.22 18.16 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -157.78 179.43 9.22 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.406 -1.283 . . . . 0.0 109.305 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -35.4 95.29 0.01 OUTLIER Glycine 0 C--N 1.355 1.604 0 CA-C-O 118.467 -1.185 . . . . 0.0 115.649 -173.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.91 43.61 71.36 Favored Glycine 0 C--N 1.357 1.715 0 CA-C-N 118.897 1.349 . . . . 0.0 110.295 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -164.22 158.24 18.77 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.244 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -121.66 152.67 39.08 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 117.684 -1.15 . . . . 0.0 109.923 -172.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.0 t -136.6 144.99 31.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-O 116.998 -1.477 . . . . 0.0 109.8 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.9 p -155.88 158.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 120.459 1.481 . . . . 0.0 109.869 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -144.96 124.07 12.86 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.879 -1.058 . . . . 0.0 108.233 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 68.0 m-85 -105.16 160.53 25.69 Favored Pre-proline 0 C--N 1.356 0.863 0 CA-C-O 115.831 -2.033 . . . . 0.0 106.226 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.24 69.51 4.01 Favored 'Trans proline' 0 C--N 1.357 0.99 0 CA-C-N 123.651 2.339 . . . . 0.0 110.015 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.3 p30 165.01 -72.1 0.0 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.025 -0.988 . . . . 0.0 108.483 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.538 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 3.2 p90 -101.24 172.92 6.71 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.409 ' CE1' HG23 ' A' ' 100' ' ' THR . 1.0 OUTLIER -139.24 156.18 47.26 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 177.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -154.28 152.83 30.75 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.616 1.098 . . . . 0.0 109.777 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.409 HG23 ' CE1' ' A' ' 98' ' ' HIS . 1.8 p -143.46 106.45 4.51 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.3 m -83.21 163.6 20.67 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-N 119.876 1.216 . . . . 0.0 108.429 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -159.42 131.19 6.31 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.133 -1.413 . . . . 0.0 109.704 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.6 mm -93.18 149.17 4.33 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 CA-C-N 119.99 1.268 . . . . 0.0 107.797 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.8 t -138.19 76.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.89 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.76 -85.35 0.76 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -136.03 59.37 1.71 Allowed 'General case' 0 C--N 1.354 0.781 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -170.13 143.22 2.42 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.066 -1.445 . . . . 0.0 107.515 -172.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.0 tp -110.9 137.31 48.7 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 m -134.47 160.4 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 CA-C-N 119.782 1.174 . . . . 0.0 108.349 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -139.42 167.47 22.0 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.823 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.3 t -143.27 101.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-O 116.427 -1.749 . . . . 0.0 106.63 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 171.44 10.42 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.043 1.747 . . . . 0.0 106.759 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.5 m -165.1 149.73 9.05 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 116.028 -1.939 . . . . 0.0 110.591 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.9 tt -161.72 -48.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 120.92 1.691 . . . . 0.0 114.789 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.49 75.79 0.12 Allowed Glycine 0 C--N 1.354 1.557 0 CA-C-N 121.246 1.839 . . . . 0.0 110.424 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.59 26.64 72.66 Favored Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.161 -1.355 . . . . 0.0 110.684 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.4 152.95 14.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 83.2 m -151.66 114.74 4.72 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -102.35 87.27 2.99 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 119.629 1.104 . . . . 0.0 108.065 -175.494 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.5 161.99 18.3 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.107 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -165.88 155.69 12.38 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 115.993 -1.956 . . . . 0.0 109.522 -162.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.1 m -134.58 83.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-N 120.921 1.692 . . . . 0.0 111.636 -170.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.1 m -69.5 131.93 45.5 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.575 1.534 . . . . 0.0 107.367 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -90.92 167.29 12.53 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 120.639 1.563 . . . . 0.0 107.241 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -102.99 79.62 1.78 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.959 1.254 . . . . 0.0 109.366 -169.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.94 -156.94 0.23 Allowed 'General case' 0 C--N 1.352 0.707 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -173.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.633 0 CA-C-N 120.511 1.505 . . . . 0.0 110.028 178.236 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 CA--C 1.509 -0.624 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 m -155.47 112.06 3.19 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.09 -171.79 38.08 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-O 118.095 -1.392 . . . . 0.0 110.632 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -113.59 145.1 41.8 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -146.16 170.78 16.02 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.392 -1.29 . . . . 0.0 110.023 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.29 147.42 24.71 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.844 1.202 . . . . 0.0 110.05 170.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ttp -50.92 133.7 26.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 116.605 -1.664 . . . . 0.0 109.736 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -99.73 -57.72 2.08 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 120.661 1.573 . . . . 0.0 110.346 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 m -132.94 -56.94 0.93 Allowed 'General case' 0 C--N 1.358 0.969 0 CA-C-O 117.154 -1.403 . . . . 0.0 114.178 -170.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 87.13 153.14 0.06 Allowed 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.669 1.122 . . . . 0.0 111.151 -174.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -159.48 138.6 11.1 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.096 -1.43 . . . . 0.0 108.444 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 60.99 16.53 7.08 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.934 1.243 . . . . 0.0 113.281 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -63.4 -49.15 74.94 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.098 0.863 . . . . 0.0 113.123 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -59.33 -63.23 1.38 Allowed 'General case' 0 C--N 1.348 0.532 0 CA-C-N 120.248 1.385 . . . . 0.0 113.083 -168.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.41 -43.16 97.0 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.207 -174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -43.51 -39.74 3.54 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 119.733 1.152 . . . . 0.0 112.716 176.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.3 mmm -78.94 -35.76 42.79 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 118.374 -0.822 . . . . 0.0 108.992 -174.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -62.03 -35.02 77.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.776 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.13 -51.4 13.54 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.938 1.244 . . . . 0.0 108.884 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.9 tp -46.36 -40.57 12.16 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.605 -173.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.85 68.47 0.46 Allowed Glycine 0 C--N 1.354 1.556 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 175.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.1 mm -130.6 157.31 42.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.877 -1.059 . . . . 0.0 108.66 -174.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -86.64 134.39 33.62 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.835 -1.079 . . . . 0.0 111.719 -175.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.3 t -46.27 -41.38 13.01 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.311 0.959 . . . . 0.0 112.756 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -53.83 -50.58 65.86 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.609 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -81.18 -23.13 10.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-O 117.393 -1.289 . . . . 0.0 111.014 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.2 mt -55.82 -47.2 79.88 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 120.91 1.686 . . . . 0.0 107.199 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -58.67 -32.76 69.4 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 118.168 -0.92 . . . . 0.0 111.214 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -61.16 -67.33 0.42 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.949 1.25 . . . . 0.0 108.69 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.79 -3.18 14.41 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.592 -1.194 . . . . 0.0 112.732 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -64.6 -49.88 69.37 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.67 1.577 . . . . 0.0 108.096 169.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -136.8 45.15 2.3 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.96 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -114.72 135.79 53.77 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 171.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -73.39 146.77 44.88 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -132.83 125.46 52.44 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -85.4 150.01 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m -136.92 124.46 22.21 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -122.02 149.75 43.06 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -139.4 143.78 30.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-O 117.42 -1.276 . . . . 0.0 108.241 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -139.23 86.98 2.16 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 171.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -61.8 151.43 34.27 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.432 -0.794 . . . . 0.0 108.929 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -147.36 68.21 1.14 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -172.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.27 -156.45 52.21 Favored Glycine 0 C--N 1.352 1.423 0 C-N-CA 119.328 -1.415 . . . . 0.0 109.654 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -45.57 -38.21 6.24 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.127 174.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.89 147.87 36.78 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.503 1.047 . . . . 0.0 110.674 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.68 164.67 18.64 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -136.47 73.19 1.44 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -78.45 164.23 24.94 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.553 -171.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.8 m -151.93 154.46 36.13 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.706 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -135.11 89.4 2.52 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 . . . . . 0 C--N 1.354 0.798 0 CA-C-O 117.674 -1.155 . . . . 0.0 109.631 -171.519 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 . . . . . 0 CA--C 1.507 -0.7 0 N-CA-C 105.261 -2.125 . . . . 0.0 105.261 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 m -78.28 101.23 7.05 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 173.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 43.2 ttp -81.99 154.46 25.69 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 171.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.96 154.3 47.15 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.213 1.369 . . . . 0.0 111.218 175.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -128.69 75.08 1.61 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.5 145.22 45.79 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -162.71 166.31 24.54 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.411 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -125.32 134.24 52.31 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -88.26 153.13 3.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -169.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.31 22.05 57.92 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-O 117.295 -1.836 . . . . 0.0 110.702 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -140.07 -63.74 0.49 Allowed 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.76 1.78 . . . . 0.0 109.857 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.283 8.9 pt-20 113.18 154.04 0.0 OUTLIER 'General case' 0 C--N 1.356 0.883 0 C-N-CA 124.919 1.288 . . . . 0.0 108.054 177.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.1 m -156.9 168.08 28.54 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.403 -1.284 . . . . 0.0 108.359 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -79.66 87.67 5.19 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.1 mt -83.64 142.99 12.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.404 -172.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -99.93 56.46 0.96 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 118.622 0.646 . . . . 0.0 110.831 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 C--N 1.352 0.684 0 O-C-N 121.915 -0.491 . . . . 0.0 111.384 175.596 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 CA--C 1.507 -0.68 0 CA-C-O 117.382 -1.294 . . . . 0.0 107.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -128.97 142.85 50.79 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -163.66 144.59 8.95 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.97 -1.49 . . . . 0.0 109.924 -169.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -95.59 107.97 20.2 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.398 0.999 . . . . 0.0 109.767 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.2 t -77.99 147.11 7.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -137.1 -177.87 4.95 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -155.62 149.57 25.45 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 117.488 -1.244 . . . . 0.0 108.763 -169.155 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.403 ' N ' ' SD ' ' A' ' 85' ' ' MET . 1.2 pp20? -151.54 164.65 36.37 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 119.482 1.037 . . . . 0.0 110.702 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.08 90.46 0.06 OUTLIER Glycine 0 C--N 1.354 1.549 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -176.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.06 -40.01 1.33 Allowed Glycine 0 C--N 1.355 1.589 0 CA-C-O 118.021 -1.433 . . . . 0.0 111.418 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -159.79 170.41 21.53 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.417 1.608 . . . . 0.0 112.058 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.9 tp -102.74 152.85 20.75 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 117.313 -1.327 . . . . 0.0 107.757 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.4 t -132.42 145.99 33.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-O 116.755 -1.593 . . . . 0.0 109.794 -176.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.8 p -155.35 157.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 120.97 1.714 . . . . 0.0 110.507 171.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -147.85 144.16 27.94 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.273 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.454 ' CE1' ' CE1' ' A' ' 97' ' ' TYR 0.253 24.8 m-85 -124.64 165.82 23.12 Favored Pre-proline 0 C--N 1.354 0.774 0 CA-C-O 116.097 -1.906 . . . . 0.0 106.393 -174.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -77.46 58.34 6.28 Favored 'Trans proline' 0 C--N 1.357 0.975 0 CA-C-N 123.588 2.317 . . . . 0.0 109.835 169.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -173.58 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.357 0.906 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.454 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 1.4 p90 -113.43 -178.65 3.43 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.428 ' CE1' HG23 ' A' ' 100' ' ' THR . 0.4 OUTLIER -139.31 157.39 45.98 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.98 153.58 28.27 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.524 1.056 . . . . 0.0 110.376 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.428 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -141.25 103.67 4.47 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 -178.395 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 m -78.05 163.02 26.27 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 107.454 -1.314 . . . . 0.0 107.454 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -160.44 117.21 2.42 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.731 1.15 . . . . 0.0 110.058 -171.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mm -89.36 150.52 3.69 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-N 119.346 0.976 . . . . 0.0 108.641 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -139.04 75.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.78 -82.93 0.82 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -138.39 63.02 1.54 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -172.34 137.57 0.88 Allowed 'General case' 0 C--N 1.351 0.64 0 CA-C-O 116.632 -1.651 . . . . 0.0 106.922 -173.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.1 tp -112.03 134.68 53.43 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.31 160.52 40.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -140.13 167.33 22.39 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.369 -1.301 . . . . 0.0 109.575 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.8 t -139.15 96.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.8 m -78.09 170.1 17.17 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.155 0.889 . . . . 0.0 109.441 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.6 m -161.58 147.65 13.96 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 116.996 -1.478 . . . . 0.0 110.952 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.8 tt -158.37 74.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-N 119.821 1.191 . . . . 0.0 110.616 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 61.81 22.24 61.89 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 117.346 -1.808 . . . . 0.0 113.469 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.43 -48.89 0.58 Allowed Glycine 0 C--N 1.356 1.67 0 CA-C-N 120.207 2.003 . . . . 0.0 111.63 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.9 t -89.38 153.61 3.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -128.47 164.85 21.86 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -139.43 91.33 2.48 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 167.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -89.45 164.41 14.85 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.922 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -161.64 165.96 27.51 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 117.105 -1.426 . . . . 0.0 109.944 -173.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.42 82.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.654 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -170.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.0 m -79.45 97.98 6.61 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -62.1 170.44 2.21 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.084 -1.436 . . . . 0.0 109.988 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -106.21 84.06 1.98 Allowed 'General case' 0 C--N 1.359 1.016 0 CA-C-N 119.913 1.233 . . . . 0.0 108.932 -172.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.1 -157.44 0.13 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -175.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.727 0 CA-C-N 120.548 1.522 . . . . 0.0 110.876 175.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 . . . . . 0 CA--C 1.509 -0.611 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.7 m -159.75 122.49 3.48 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.464 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.28 175.56 24.01 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 118.384 -1.231 . . . . 0.0 110.63 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -92.01 145.98 24.1 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.206 -1.775 . . . . 0.0 106.206 170.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -142.59 165.84 26.3 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 116.766 -1.587 . . . . 0.0 108.873 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -146.24 127.02 14.37 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 116.795 -1.574 . . . . 0.0 110.598 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttp -48.1 109.84 0.27 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-O 117.513 -1.232 . . . . 0.0 108.922 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.14 -53.47 5.76 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.144 1.338 . . . . 0.0 108.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 p -154.26 172.66 17.28 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.129 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.33 170.77 16.11 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 118.795 0.725 . . . . 0.0 111.497 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -143.01 155.27 44.62 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 165.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 52.65 21.03 1.71 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.416 1.007 . . . . 0.0 113.555 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CE2' HG23 ' A' ' 28' ' ' ILE . 53.4 t80 -76.3 -49.77 16.08 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.354 0.979 . . . . 0.0 110.767 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.25 -56.89 12.9 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.359 -173.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.9 -52.41 65.15 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.102 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -43.12 -43.05 4.31 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 120.058 1.299 . . . . 0.0 111.861 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 36.5 mmm -76.86 -34.79 57.79 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.469 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -35.84 81.65 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.815 -1.088 . . . . 0.0 108.491 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.65 -51.8 31.54 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 120.398 1.454 . . . . 0.0 107.918 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.6 tp -48.28 -42.63 31.27 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.38 58.96 0.22 Allowed Glycine 0 C--N 1.356 1.647 0 CA-C-O 117.809 -1.551 . . . . 0.0 110.865 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.0 mm -126.53 155.16 36.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.952 0 CA-C-N 118.762 1.281 . . . . 0.0 108.055 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -72.77 159.92 33.02 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 p -86.04 65.46 9.11 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -167.03 -56.38 0.03 OUTLIER 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.87 -45.96 87.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 169.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.524 HG23 ' CE2' ' A' ' 14' ' ' TYR . 87.5 mt -52.39 -57.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -56.03 -36.6 68.17 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.132 -171.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -75.6 -64.35 1.09 Allowed 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.04 -38.37 0.32 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 118.011 -0.995 . . . . 0.0 113.572 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -77.38 -44.23 30.02 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.195 0.907 . . . . 0.0 111.191 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -74.73 -54.49 7.28 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 35' ' ' LYS . 2.2 t80 -50.05 116.13 1.7 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 173.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 45.4 mmtm -61.49 155.93 20.68 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 175.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 mt -133.5 153.81 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.76 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.4 t -104.82 155.6 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -174.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.1 m -146.02 121.71 10.5 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 116.805 -1.569 . . . . 0.0 107.911 176.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -115.43 153.44 31.08 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.21 147.41 19.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 117.974 -1.013 . . . . 0.0 108.662 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -146.72 94.39 2.43 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 167.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -65.46 161.67 19.49 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 119.373 -0.931 . . . . 0.0 108.838 -174.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -148.73 65.73 1.05 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -172.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.85 -152.25 52.6 Favored Glycine 0 C--N 1.352 1.426 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -50.36 -37.06 35.14 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.747 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.59 156.11 33.02 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.724 1.147 . . . . 0.0 111.083 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 8.7 m-85 -133.14 166.01 23.44 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.883 0.765 . . . . 0.0 109.554 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.3 p -133.57 68.93 1.48 Allowed 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.052 -1.832 . . . . 0.0 106.052 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -76.48 159.88 30.0 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 116.935 -1.507 . . . . 0.0 107.825 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 m -154.86 155.15 33.86 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.114 168.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -127.33 144.42 51.05 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 115.728 -2.082 . . . . 0.0 106.707 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 52' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.357 0.897 0 CA-C-N 121.462 1.937 . . . . 0.0 108.823 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 56.2 t60 . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.6 m -150.76 106.19 3.37 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 166.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 27.9 ttp -81.23 155.51 26.08 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 175.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.0 m -141.64 145.82 35.43 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 121.199 1.818 . . . . 0.0 112.451 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -132.86 72.75 1.5 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -66.67 148.19 52.25 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 169.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.419 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 9.6 p90 -162.22 168.55 22.24 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 119.271 0.942 . . . . 0.0 110.921 178.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -129.89 128.83 43.0 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.44 142.02 13.54 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -168.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.49 17.78 74.86 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-O 116.728 -2.151 . . . . 0.0 110.129 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -137.47 -70.97 0.44 Allowed 'General case' 0 C--N 1.361 1.08 0 CA-C-N 120.296 2.048 . . . . 0.0 109.367 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.254 15.5 pt-20 129.38 156.73 0.0 OUTLIER 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.487 1.115 . . . . 0.0 109.279 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 m -160.48 158.54 29.51 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.558 -1.21 . . . . 0.0 109.397 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -69.61 82.31 0.42 Allowed 'General case' 0 C--N 1.357 0.928 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.16 134.84 26.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 CA-C-O 117.295 -1.336 . . . . 0.0 109.492 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.0 151.34 21.09 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 p . . . . . 0 C--N 1.351 0.657 0 CA-C-N 118.728 0.695 . . . . 0.0 111.956 -166.141 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 CA--C 1.506 -0.724 0 CA-C-O 117.737 -1.125 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -102.76 76.81 1.53 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 173.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.413 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -81.23 160.63 24.23 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.401 -1.285 . . . . 0.0 109.349 -175.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 m -107.94 105.93 15.95 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.603 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.2 t -79.66 148.5 5.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -142.75 -174.51 4.18 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 36.4 ttm -134.59 154.11 51.64 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 117.052 -1.451 . . . . 0.0 108.428 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -139.9 65.77 1.41 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.324 1.42 . . . . 0.0 109.887 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.55 -119.46 5.61 Favored Glycine 0 C--N 1.357 1.707 0 CA-C-O 117.405 -1.775 . . . . 0.0 108.761 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.76 47.35 1.32 Allowed Glycine 0 C--N 1.356 1.679 0 N-CA-C 108.229 -1.949 . . . . 0.0 108.229 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -157.58 153.05 26.26 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.17 -1.395 . . . . 0.0 108.362 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 tp -114.04 156.3 24.37 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.686 -1.15 . . . . 0.0 110.88 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.2 t -133.18 144.46 36.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-O 116.529 -1.7 . . . . 0.0 110.233 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.45 159.12 3.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-N 120.877 1.671 . . . . 0.0 110.248 171.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -148.09 119.88 8.11 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.06 -0.971 . . . . 0.0 108.902 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' A' ' 81' ' ' ALA . 65.1 m-85 -98.29 162.57 21.52 Favored Pre-proline 0 C--N 1.356 0.865 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -78.69 59.42 7.24 Favored 'Trans proline' 0 C--N 1.357 0.976 0 CA-C-N 123.976 2.456 . . . . 0.0 109.848 173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -172.88 -71.62 0.01 OUTLIER 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.403 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 19.2 p90 -110.43 174.7 5.74 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 175.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -133.02 155.6 48.88 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -153.63 155.82 36.79 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.62 1.1 . . . . 0.0 109.113 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.77 105.32 5.1 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.86 164.47 26.6 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 -177.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -163.64 115.8 1.44 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.996 1.271 . . . . 0.0 111.373 -173.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.18 149.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 119.542 1.065 . . . . 0.0 108.47 174.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.49 74.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.54 -84.9 0.75 Allowed Glycine 0 C--N 1.354 1.534 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -139.41 57.54 1.64 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -170.94 126.46 0.7 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -171.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.9 tp -101.82 137.97 39.41 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 -176.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.3 168.1 19.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -145.45 173.07 12.33 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.761 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -150.4 103.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 171.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -84.49 171.96 12.09 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 -176.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 m -161.67 143.0 11.19 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 120.664 1.575 . . . . 0.0 111.173 -172.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 116' ' ' GLY . 12.4 tt -165.27 139.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 116.139 -1.886 . . . . 0.0 109.323 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 45.65 -91.29 0.01 OUTLIER Glycine 0 C--N 1.355 1.621 0 CA-C-N 120.715 1.598 . . . . 0.0 111.254 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 114' ' ' ILE . . . -147.38 43.93 0.82 Allowed Glycine 0 C--N 1.354 1.545 0 CA-C-O 118.799 -1.001 . . . . 0.0 110.824 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.4 t -141.29 151.59 19.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.9 m -130.61 168.38 17.2 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.787 -1.102 . . . . 0.0 108.239 -173.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -153.09 110.38 3.51 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.777 -1.583 . . . . 0.0 109.332 173.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -95.62 160.89 14.28 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 120.316 1.416 . . . . 0.0 110.268 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -145.9 166.66 25.34 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 117.045 -1.455 . . . . 0.0 107.761 174.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 39.8 t -136.42 78.24 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.2 m -73.87 95.59 2.47 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -59.27 169.09 1.24 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.284 -1.341 . . . . 0.0 109.279 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -108.66 87.16 2.43 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -172.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.16 -156.6 0.39 Allowed 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.184 -1.388 . . . . 0.0 107.845 -171.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.687 0 CA-C-N 120.485 1.493 . . . . 0.0 110.267 -175.539 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 . . . . . 0 CA--C 1.509 -0.631 0 CA-C-O 119.72 -0.181 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.0 m -158.26 115.8 2.93 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.278 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.81 174.93 26.23 Favored Glycine 0 C--N 1.354 1.538 0 CA-C-O 117.471 -1.738 . . . . 0.0 110.685 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -98.57 144.09 28.26 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.038 1.419 . . . . 0.0 107.65 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -137.9 171.05 15.0 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.881 -1.533 . . . . 0.0 108.65 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.33 152.37 36.96 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 120.879 1.672 . . . . 0.0 110.612 168.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -81.66 160.24 23.77 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.892 -173.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -167.21 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.519 -1.705 . . . . 0.0 112.983 -177.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.2 p -116.8 154.73 30.18 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 121.588 1.994 . . . . 0.0 108.024 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -169.48 154.32 5.6 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.703 -1.618 . . . . 0.0 110.261 -166.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.52 167.05 13.91 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 121.088 1.767 . . . . 0.0 112.742 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 62.46 42.94 8.34 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 118.791 0.723 . . . . 0.0 109.82 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.61 ' CD1' ' CE1' ' A' ' 119' ' ' TYR . 27.9 t80 -113.45 -61.48 1.73 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -160.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.41 -49.43 34.96 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 119.376 0.989 . . . . 0.0 109.271 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.87 -54.82 40.41 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.067 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -47.31 -35.92 8.61 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 121.567 1.985 . . . . 0.0 112.744 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.4 mmt -87.25 -24.54 24.34 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.105 -175.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -66.85 -38.56 86.62 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.86 -51.57 46.71 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -58.05 -47.44 83.14 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -171.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.26 68.26 0.51 Allowed Glycine 0 C--N 1.355 1.601 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.101 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 mm -126.42 157.5 36.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 CA-C-N 118.316 1.058 . . . . 0.0 109.155 -176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.4 t -71.8 153.94 41.62 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.816 0.735 . . . . 0.0 112.772 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 m -63.03 -30.27 71.47 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.066 -0.968 . . . . 0.0 113.574 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -80.77 -44.08 19.14 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 -175.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.48 -40.05 77.21 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.79 -65.9 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.85 -21.51 57.03 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-O 117.854 -1.07 . . . . 0.0 112.394 -173.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -66.54 -64.06 0.94 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-N 120.847 1.658 . . . . 0.0 106.968 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.25 . . -65.23 -7.97 15.4 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.648 -1.644 . . . . 0.0 112.183 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -59.11 -52.75 64.37 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.934 2.152 . . . . 0.0 106.954 167.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -135.19 49.54 2.19 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 123.404 0.44 . . . . 0.0 111.768 -172.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -119.14 123.41 44.31 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 173.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.51 78.29 0.79 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.29 144.67 14.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.9 t -100.28 154.81 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.96 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.9 m -141.23 154.03 45.57 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 107.472 -1.306 . . . . 0.0 107.472 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -152.38 157.58 41.47 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.04 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -142.81 153.21 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.746 0 O-C-N 124.049 0.843 . . . . 0.0 110.587 -172.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -143.94 106.94 4.49 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -74.9 86.52 2.27 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -80.05 68.87 6.31 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.01 -162.63 45.92 Favored Glycine 0 C--N 1.353 1.509 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.492 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -43.75 -35.31 1.81 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.806 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.64 121.84 26.34 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 117.519 -1.229 . . . . 0.0 109.002 175.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -94.17 161.98 14.05 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.56 80.9 1.92 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 103.52 -2.77 . . . . 0.0 103.52 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -78.86 162.64 25.92 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.398 -1.287 . . . . 0.0 107.905 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -155.58 157.62 37.08 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 119.913 1.233 . . . . 0.0 111.255 167.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -135.04 111.25 9.63 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 116.691 -1.623 . . . . 0.0 106.702 -176.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 . . . . . 0 C--N 1.358 0.97 0 CA-C-N 120.725 1.602 . . . . 0.0 111.076 -171.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 52.9 t60 . . . . . 0 CA--C 1.511 -0.529 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.9 m -88.15 96.63 10.61 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 103.869 -2.641 . . . . 0.0 103.869 169.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.3 ttp -70.22 153.45 43.08 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -136.78 154.27 50.6 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.73 1.605 . . . . 0.0 111.917 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -135.46 73.01 1.45 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -76.44 156.5 33.04 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.706 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -168.48 171.65 8.84 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.667 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -129.68 129.28 44.05 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.07 146.18 6.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -167.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.81 7.9 59.72 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-O 115.897 -2.613 . . . . 0.0 111.838 -174.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -137.81 2.51 2.4 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 121.396 2.598 . . . . 0.0 116.871 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 61.93 138.23 0.01 OUTLIER 'General case' 0 C--N 1.35 0.622 0 CA-C-N 120.846 1.657 . . . . 0.0 114.522 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 m -164.36 163.66 22.37 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.265 -1.35 . . . . 0.0 108.247 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -73.63 140.84 46.42 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.162 1.346 . . . . 0.0 108.4 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.8 mt -137.77 146.5 27.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 CA-C-O 117.105 -1.426 . . . . 0.0 108.016 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -111.1 59.09 0.61 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.447 1.021 . . . . 0.0 109.981 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.353 0.738 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.521 172.837 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 . . . . . 0 CA--C 1.508 -0.637 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -136.15 147.42 47.72 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.138 -0.934 . . . . 0.0 108.751 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.88 162.89 29.44 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.113 -1.423 . . . . 0.0 109.633 -173.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.2 m -105.57 99.84 9.43 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.358 0.981 . . . . 0.0 108.811 -177.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.52 146.0 10.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -140.46 -179.36 5.97 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -135.27 171.85 13.85 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -156.02 65.22 0.58 Allowed 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.719 -0.793 . . . . 0.0 111.003 170.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.08 -105.44 3.13 Favored Glycine 0 C--N 1.356 1.667 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.3 43.23 1.73 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 107.735 -2.146 . . . . 0.0 107.735 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.25 151.64 32.12 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.2 tp -122.28 152.46 40.05 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.985 -165.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.0 t -139.36 147.57 24.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 CA-C-O 116.804 -1.57 . . . . 0.0 110.484 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.28 159.17 2.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 120.736 1.607 . . . . 0.0 110.422 170.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -148.27 138.91 22.9 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.745 -1.121 . . . . 0.0 108.853 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . 0.251 13.4 m-85 -119.04 165.27 17.45 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-O 116.261 -1.828 . . . . 0.0 106.561 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.49 64.57 7.33 Favored 'Trans proline' 0 C--N 1.357 0.978 0 CA-C-N 123.15 2.161 . . . . 0.0 108.192 166.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -178.88 -81.89 0.0 OUTLIER 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.78 -1.105 . . . . 0.0 108.106 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.07 -173.9 2.35 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.196 0.907 . . . . 0.0 109.318 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -138.01 159.46 41.95 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.09 150.07 26.8 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.761 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.95 108.9 4.4 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -91.89 161.42 14.84 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 120.351 1.432 . . . . 0.0 108.519 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.46 120.95 8.51 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.83 -1.081 . . . . 0.0 109.325 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -85.94 148.31 4.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.28 75.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.49 -81.29 0.61 Allowed Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -138.59 61.18 1.59 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -170.28 137.84 1.53 Allowed 'General case' 0 C--N 1.351 0.665 0 CA-C-O 116.902 -1.523 . . . . 0.0 107.358 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.5 tp -112.66 137.13 51.39 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.48 173.52 14.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 CA-C-N 120.22 1.373 . . . . 0.0 108.4 173.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -149.05 154.97 40.06 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 116.923 -1.513 . . . . 0.0 110.846 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 68.9 t -139.47 109.22 3.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.0 p -82.13 174.84 10.83 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.955 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.6 m -161.94 155.65 21.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.354 -1.307 . . . . 0.0 110.32 169.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -153.63 -52.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.945 0 CA-C-N 119.931 1.241 . . . . 0.0 113.55 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.3 70.87 0.2 Allowed Glycine 0 C--N 1.353 1.527 0 CA-C-N 120.642 1.565 . . . . 0.0 109.704 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.57 25.18 73.05 Favored Glycine 0 C--N 1.353 1.514 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.957 -174.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.7 t -147.27 149.21 15.81 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.3 m -137.36 164.72 27.92 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.25 -1.357 . . . . 0.0 107.625 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.61 ' CE1' ' CD1' ' A' ' 14' ' ' TYR . 25.9 t80 -142.32 118.31 10.62 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 115.992 -1.956 . . . . 0.0 106.738 169.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -121.96 160.89 23.91 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.761 1.619 . . . . 0.0 110.167 -175.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -163.87 154.57 15.66 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 116.886 -1.53 . . . . 0.0 108.942 -167.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.0 t -131.5 90.18 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -166.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.4 m -84.33 104.01 14.0 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.926 -1.035 . . . . 0.0 108.376 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -67.73 167.35 13.46 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.454 1.479 . . . . 0.0 111.14 -176.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.9 91.62 3.9 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -173.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.75 -157.6 0.14 Allowed 'General case' 0 C--N 1.351 0.644 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -173.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.702 0 CA-C-N 120.781 1.628 . . . . 0.0 111.067 -179.76 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 55.48 59.91 3.64 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.0 m -158.79 113.36 2.48 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-O 117.607 -1.187 . . . . 0.0 108.433 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.74 177.36 27.99 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-O 118.011 -1.438 . . . . 0.0 111.34 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -88.88 147.62 24.28 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 118.567 1.183 . . . . 0.0 107.956 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -145.24 173.05 12.29 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 116.872 -1.537 . . . . 0.0 109.131 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -156.87 141.47 16.79 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 120.757 1.617 . . . . 0.0 110.87 172.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttp -68.93 105.46 2.39 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.083 -1.437 . . . . 0.0 108.567 -173.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -81.89 -37.79 26.33 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 120.955 1.707 . . . . 0.0 110.47 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 m -155.2 173.47 16.57 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.43 1.014 . . . . 0.0 111.358 -171.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -142.02 172.8 12.19 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-O 118.129 -0.938 . . . . 0.0 111.1 -175.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -118.48 -74.73 0.6 Allowed 'General case' 0 C--N 1.359 0.996 0 CA-C-O 117.197 -1.382 . . . . 0.0 109.923 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -108.98 20.58 18.26 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 120.479 1.491 . . . . 0.0 112.203 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -44.75 -44.68 9.46 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -57.06 -54.33 47.98 Favored 'General case' 0 CA--C 1.508 -0.662 0 C-N-CA 119.761 -0.776 . . . . 0.0 111.226 -173.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -69.33 -51.24 38.94 Favored 'General case' 0 C--N 1.351 0.633 0 C-N-CA 119.463 -0.895 . . . . 0.0 109.056 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -44.16 -39.57 4.42 Favored 'General case' 0 C--N 1.35 0.591 0 CA-C-N 119.209 0.913 . . . . 0.0 111.677 177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -49.12 65.58 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.295 0.0 OUTLIER -56.16 -25.68 47.48 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 117.732 -1.127 . . . . 0.0 110.946 -175.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mp -76.49 -50.52 13.8 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 119.99 1.268 . . . . 0.0 109.207 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.0 mt -54.84 -46.96 74.7 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.412 1.46 . . . . 0.0 108.922 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.69 64.13 0.76 Allowed Glycine 0 C--N 1.354 1.539 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 -178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.2 mm -103.36 157.09 5.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 t -71.1 141.18 50.82 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.831 -176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.4 t -54.18 -30.33 49.12 Favored 'General case' 0 C--N 1.355 0.815 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -173.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -77.52 -45.12 26.44 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.32 -36.48 74.82 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 CA-C-O 117.869 -1.063 . . . . 0.0 108.632 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.4 mt -56.95 -58.01 7.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -58.22 -25.84 62.13 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.513 -1.232 . . . . 0.0 112.404 -175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -66.31 -68.13 0.39 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 121.066 1.757 . . . . 0.0 109.809 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.69 -38.89 22.6 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 119.293 0.951 . . . . 0.0 111.255 -170.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.28 -30.63 60.49 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.701 -176.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -101.96 33.42 3.05 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 119.437 1.017 . . . . 0.0 110.325 171.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -151.46 145.05 24.94 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.694 1.134 . . . . 0.0 111.026 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -89.63 87.26 6.95 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.01 127.52 19.55 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 104.829 -2.286 . . . . 0.0 104.829 171.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.8 t -86.89 151.81 3.54 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.865 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.9 m -140.74 117.83 11.23 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 117.225 -1.369 . . . . 0.0 108.231 -173.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -108.17 157.97 17.84 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.6 t -143.74 149.54 17.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.774 0 CA-C-O 117.562 -1.209 . . . . 0.0 109.49 174.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -143.88 88.66 1.99 Allowed 'General case' 0 C--N 1.357 0.893 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.22 89.2 0.19 Allowed 'General case' 0 C--N 1.351 0.65 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -91.86 70.32 5.58 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.4 -159.5 46.7 Favored Glycine 0 C--N 1.353 1.513 0 C-N-CA 120.03 -1.081 . . . . 0.0 111.07 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -50.03 -33.55 18.54 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 117.801 -1.095 . . . . 0.0 110.138 176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.72 146.15 30.14 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 120.005 1.275 . . . . 0.0 108.653 174.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -120.86 160.2 23.92 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 106.684 -1.598 . . . . 0.0 106.684 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.2 76.85 1.64 Allowed 'General case' 0 C--N 1.355 0.815 0 N-CA-C 103.841 -2.651 . . . . 0.0 103.841 173.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -77.94 155.96 30.54 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 116.729 -1.605 . . . . 0.0 106.759 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -149.89 158.97 44.69 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 119.824 1.193 . . . . 0.0 110.462 171.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -136.23 81.19 1.87 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -78.7 146.68 33.83 Favored 'General case' 0 CA--C 1.503 -0.828 0 CA-C-O 117.532 -1.223 . . . . 0.0 109.535 -171.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.523 ' CZ ' ' CD2' ' A' ' 57' ' ' HIS . 4.5 m-30 -97.39 66.49 2.03 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 175.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t 50.19 49.38 20.6 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 123.208 0.317 . . . . 0.0 111.791 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.29 -31.17 5.86 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-O 117.404 -1.776 . . . . 0.0 114.218 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -77.16 -116.05 0.16 Allowed Glycine 0 C--N 1.354 1.564 0 CA-C-N 120.571 2.185 . . . . 0.0 109.397 -177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.523 ' CD2' ' CZ ' ' A' ' 53' ' ' TYR . 6.9 t60 -52.21 150.84 4.25 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.65 1.725 . . . . 0.0 109.136 175.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.426 ' N ' ' CD2' ' A' ' 57' ' ' HIS . 87.2 m -134.57 109.08 8.44 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.572 -1.204 . . . . 0.0 107.828 171.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.1 ttp -85.85 153.82 21.98 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 104.729 -2.322 . . . . 0.0 104.729 172.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.0 m -135.54 153.03 51.84 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.842 1.656 . . . . 0.0 111.581 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -131.48 71.54 1.48 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 ttpm? -73.33 142.67 47.08 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -160.41 168.91 24.16 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 118.142 -0.932 . . . . 0.0 111.035 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 96.7 m -124.65 137.24 54.38 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -93.38 152.75 3.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -170.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.34 24.09 63.14 Favored Glycine 0 C--N 1.351 1.381 0 CA-C-O 117.682 -1.621 . . . . 0.0 109.462 -172.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -145.01 -61.02 0.36 Allowed 'General case' 0 C--N 1.359 0.982 0 CA-C-N 119.158 1.479 . . . . 0.0 110.272 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.282 6.6 pt-20 112.8 154.61 0.0 OUTLIER 'General case' 0 C--N 1.357 0.908 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.4 m -162.95 167.33 22.74 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 117.228 -1.368 . . . . 0.0 108.843 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -74.64 140.91 44.6 Favored 'General case' 0 C--N 1.351 0.661 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 171.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.9 mt -136.31 140.44 43.6 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 120.113 1.324 . . . . 0.0 108.133 -177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -74.84 -39.63 61.49 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.337 0.971 . . . . 0.0 111.509 -168.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.7 p 68.9 162.63 0.22 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 171.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.6 mmt -100.4 26.58 6.49 Favored 'General case' 0 C--N 1.36 1.027 0 O-C-N 123.911 0.757 . . . . 0.0 109.898 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -94.27 -152.65 29.54 Favored Glycine 0 C--N 1.355 1.589 0 N-CA-C 107.477 -2.249 . . . . 0.0 107.477 175.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.39 -35.54 47.37 Favored Glycine 0 C--N 1.35 1.338 0 CA-C-O 118.23 -1.317 . . . . 0.0 111.071 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -145.39 172.55 13.02 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 118.639 1.22 . . . . 0.0 112.556 -170.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 52.9 m -66.68 143.19 57.12 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.351 -1.309 . . . . 0.0 109.918 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -128.28 178.05 6.52 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 171.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -115.74 141.58 47.9 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 171.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -154.8 150.94 28.06 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.048 -1.453 . . . . 0.0 110.48 -169.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.9 m -92.97 102.55 14.9 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 119.278 0.945 . . . . 0.0 109.0 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.81 145.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -140.96 175.37 9.67 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 174.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.7 mtp -129.15 172.76 11.11 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -133.65 -64.33 0.72 Allowed 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.065 0.853 . . . . 0.0 109.206 170.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -161.37 -74.6 0.02 OUTLIER Glycine 0 C--N 1.351 1.416 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.54 38.6 3.21 Favored Glycine 0 C--N 1.356 1.662 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -163.92 177.63 8.4 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 118.412 1.106 . . . . 0.0 110.11 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.1 tp -138.19 160.19 40.07 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 117.632 -1.175 . . . . 0.0 109.172 -172.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 39.6 t -141.7 145.3 24.56 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-O 116.617 -1.659 . . . . 0.0 110.472 -171.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.1 p -155.67 156.8 4.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 120.502 1.501 . . . . 0.0 110.219 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -149.32 118.45 6.77 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.486 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 10.0 m-85 -108.11 158.56 33.33 Favored Pre-proline 0 C--N 1.356 0.88 0 CA-C-O 115.755 -2.069 . . . . 0.0 106.256 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.04 67.49 5.95 Favored 'Trans proline' 0 C--N 1.358 1.04 0 CA-C-N 123.814 2.398 . . . . 0.0 108.349 172.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -174.88 -53.84 0.01 OUTLIER 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.7 -0.667 . . . . 0.0 109.808 -171.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.486 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 19.8 p90 -151.72 -176.53 5.66 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.227 -1.398 . . . . 0.0 107.227 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.412 ' CE1' HG23 ' A' ' 100' ' ' THR . 1.7 t-80 -133.86 154.13 51.26 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 120.152 1.342 . . . . 0.0 107.867 176.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -156.99 152.18 26.29 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.243 0.929 . . . . 0.0 109.676 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.412 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.8 OUTLIER -143.23 121.86 12.54 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.717 -1.957 . . . . 0.0 105.717 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.8 m -95.75 163.01 13.36 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-N 121.173 1.806 . . . . 0.0 108.982 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -157.54 98.45 1.67 Allowed 'General case' 0 C--N 1.356 0.862 0 CA-C-N 119.136 0.88 . . . . 0.0 109.536 -171.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mm -72.56 149.27 8.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.582 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 45.5 t -133.91 80.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 68.08 -83.44 0.17 Allowed Glycine 0 C--N 1.354 1.536 0 CA-C-O 118.794 -1.003 . . . . 0.0 110.725 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -134.05 60.79 1.69 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 -178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -169.09 138.12 2.08 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 -178.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.7 tp -110.39 129.3 55.79 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 m -124.14 158.84 30.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 172.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -143.79 161.67 38.02 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.317 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.0 p -147.36 104.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 t -92.72 171.98 8.64 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 117.239 -1.362 . . . . 0.0 108.144 -172.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.6 m -165.14 150.23 9.3 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-N 120.84 1.654 . . . . 0.0 111.324 -171.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 17.1 tt -160.49 -50.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.8 0 CA-C-N 120.293 1.406 . . . . 0.0 113.695 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -162.05 74.96 0.19 Allowed Glycine 0 C--N 1.356 1.657 0 CA-C-N 121.261 1.846 . . . . 0.0 110.906 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.64 20.93 79.86 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-O 117.885 -1.509 . . . . 0.0 111.382 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 71.7 t -144.78 152.42 15.02 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.1 m -152.07 131.08 12.59 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 116.584 -1.674 . . . . 0.0 108.235 -176.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.09 96.74 6.21 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-N 119.84 1.2 . . . . 0.0 110.111 -173.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -76.68 153.39 35.18 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.722 -1.133 . . . . 0.0 111.15 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -144.49 175.9 9.78 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-O 116.98 -1.486 . . . . 0.0 107.982 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.27 78.98 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.723 0 CA-C-N 119.919 1.236 . . . . 0.0 107.922 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.9 m -72.98 98.18 2.45 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 105.855 -1.906 . . . . 0.0 105.855 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -67.72 169.83 8.89 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.289 -1.815 . . . . 0.0 110.145 -175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -105.92 90.45 3.39 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -173.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.64 -153.95 0.19 Allowed 'General case' 0 C--N 1.35 0.625 0 CA-C-O 117.072 -1.442 . . . . 0.0 107.529 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.629 0 CA-C-N 120.791 1.632 . . . . 0.0 110.256 -175.469 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 51.94 64.38 1.87 Allowed 'General case' 0 C--N 1.353 0.732 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.6 m -156.12 113.53 3.24 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.96 -155.95 27.55 Favored Glycine 0 C--N 1.353 1.474 0 C-N-CA 119.881 -1.152 . . . . 0.0 111.092 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.41 155.5 42.07 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 174.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' THR . 25.4 m-85 -154.92 166.24 34.16 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 116.358 -1.782 . . . . 0.0 110.972 -178.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -145.0 150.58 37.16 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.395 1.907 . . . . 0.0 110.733 167.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 40.2 ttm -101.65 146.27 27.94 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 116.905 -1.521 . . . . 0.0 109.439 -168.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -160.29 -48.81 0.05 OUTLIER 'General case' 0 C--N 1.357 0.901 0 CA-C-O 117.04 -1.457 . . . . 0.0 114.054 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.4 m -69.68 -60.02 2.58 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 122.181 2.264 . . . . 0.0 109.888 -175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 59.66 173.8 0.08 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.545 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -143.83 -89.03 0.12 Allowed 'General case' 0 C--N 1.358 0.958 0 CA-C-O 117.192 -1.385 . . . . 0.0 110.328 -177.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -83.84 -17.38 41.14 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.398 1.908 . . . . 0.0 111.544 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.444 ' OH ' ' HB3' ' A' ' 31' ' ' ALA . 67.1 t80 2.45 -63.25 0.0 OUTLIER 'General case' 0 C--N 1.354 0.792 0 N-CA-C 117.918 2.562 . . . . 0.0 117.918 171.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -53.14 -55.32 24.97 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 119.96 1.255 . . . . 0.0 110.961 -173.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.22 -51.23 64.71 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.032 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -44.91 -38.51 4.7 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 118.607 -1.237 . . . . 0.0 113.266 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.4 mmt -75.11 -37.56 61.45 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-O 117.896 -1.05 . . . . 0.0 108.401 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -53.37 -36.59 61.57 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.726 1.148 . . . . 0.0 110.276 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -79.39 -39.96 31.27 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.209 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.78 -40.24 66.09 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 171.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.65 57.41 0.74 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mm -105.54 154.88 6.75 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 92.8 p -80.9 150.26 29.11 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 120.123 1.328 . . . . 0.0 111.74 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.9 p -62.61 -37.95 88.27 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-N 118.901 0.773 . . . . 0.0 111.656 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.52 -32.38 73.3 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.713 -1.137 . . . . 0.0 111.164 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.1 m -90.61 -31.05 4.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-O 117.157 -1.401 . . . . 0.0 110.742 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 76.3 mt -54.38 -62.47 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.969 0 CA-C-N 121.132 1.787 . . . . 0.0 106.824 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -46.97 -40.33 14.18 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 119.15 0.886 . . . . 0.0 111.368 -175.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -68.8 -52.12 33.52 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 119.699 -0.8 . . . . 0.0 109.201 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.444 ' HB3' ' OH ' ' A' ' 14' ' ' TYR . . . -46.58 -34.14 4.7 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-O 116.927 -1.511 . . . . 0.0 112.377 -175.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -33.47 13.47 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 120.274 1.397 . . . . 0.0 111.418 177.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -59.26 -53.61 56.35 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.9 1.682 . . . . 0.0 107.823 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -82.51 156.29 24.1 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -91.94 99.77 12.55 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 106.36 -1.718 . . . . 0.0 106.36 -172.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.9 mt -58.86 133.42 24.06 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.3 t -91.02 151.61 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.891 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' PHE . 5.6 m -134.66 134.73 41.47 Favored 'General case' 0 CA--C 1.502 -0.872 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' C ' ' CD ' ' A' ' 39' ' ' GLU . 1.0 OUTLIER -133.34 160.76 36.4 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 174.34 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 t -144.32 144.97 22.04 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 CA-C-O 117.825 -1.083 . . . . 0.0 110.138 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -139.46 85.96 2.09 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 tm0? -62.5 149.82 41.87 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -146.55 69.04 1.18 Allowed 'General case' 0 C--N 1.352 0.691 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -172.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.78 -159.6 53.24 Favored Glycine 0 C--N 1.352 1.438 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -173.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -48.01 -35.11 10.42 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.058 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -77.33 146.49 36.72 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 119.765 1.166 . . . . 0.0 110.783 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -121.84 162.45 20.91 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.39 72.91 1.45 Allowed 'General case' 0 C--N 1.357 0.919 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -80.82 162.26 24.1 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-O 117.625 -1.179 . . . . 0.0 108.275 -174.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.9 m -152.55 156.05 38.6 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 119.746 1.157 . . . . 0.0 110.831 165.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -129.69 95.99 4.13 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -85.25 128.45 34.69 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-O 116.921 -1.514 . . . . 0.0 108.019 -173.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -82.13 -88.59 0.08 Allowed 'General case' 0 C--N 1.353 0.73 0 CA-C-N 120.08 1.309 . . . . 0.0 107.523 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.8 m -170.98 -62.33 0.02 OUTLIER 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.98 1.264 . . . . 0.0 109.839 -176.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.26 -64.8 2.32 Favored Glycine 0 C--N 1.355 1.63 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -168.36 60.55 0.2 Allowed Glycine 0 C--N 1.354 1.535 0 C-N-CA 119.713 -1.232 . . . . 0.0 112.023 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -144.86 72.98 1.35 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 107.051 -1.462 . . . . 0.0 107.051 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.4 m -77.07 95.99 4.33 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 173.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.65 158.38 29.76 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.53 153.55 43.69 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 121.029 1.741 . . . . 0.0 112.339 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -127.38 69.75 1.3 Allowed 'General case' 0 C--N 1.359 1.011 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -77.48 148.16 35.51 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -169.37 168.92 9.32 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.542 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 93.7 m -128.89 129.96 46.2 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 175.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.82 148.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.357 0.905 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -166.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 62.27 16.96 55.25 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-O 116.101 -2.499 . . . . 0.0 111.647 -172.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -144.45 14.29 1.6 Allowed 'General case' 0 C--N 1.361 1.09 0 CA-C-N 121.458 2.629 . . . . 0.0 116.627 -178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 59.88 140.76 0.01 OUTLIER 'General case' 0 C--N 1.351 0.656 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 m -168.0 156.95 9.38 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.33 -1.319 . . . . 0.0 109.043 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -78.64 143.85 35.98 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.6 mt -138.71 144.2 30.44 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-O 117.604 -1.188 . . . . 0.0 108.725 -175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -83.56 -32.69 25.68 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 119.656 1.117 . . . . 0.0 111.646 -173.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 30.7 p 78.62 -94.88 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.766 0 O-C-N 123.727 0.642 . . . . 0.0 111.275 168.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -104.36 -54.99 2.43 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -175.99 -95.35 0.1 OUTLIER Glycine 0 C--N 1.353 1.513 0 C-N-CA 119.39 -1.386 . . . . 0.0 110.767 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.75 -14.72 79.73 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-O 117.633 -1.648 . . . . 0.0 111.486 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -91.99 59.16 3.54 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 119.758 1.779 . . . . 0.0 109.21 -178.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.415 ' O ' ' CD1' ' A' ' 79' ' ' PHE . 14.9 t -65.64 156.25 33.43 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.324 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 78' ' ' THR . 1.6 m-85 -149.05 172.95 13.93 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 169.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -107.61 150.91 26.32 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.677 -1.154 . . . . 0.0 107.913 172.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -158.27 170.91 21.2 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.42 -1.276 . . . . 0.0 111.36 -171.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.1 m -112.08 100.85 9.18 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -72.79 145.03 12.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 105.971 -1.862 . . . . 0.0 105.971 175.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -136.42 -178.08 5.0 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 171.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -129.24 170.81 13.12 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -150.61 57.94 0.93 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 119.663 -0.815 . . . . 0.0 111.347 170.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.62 -103.59 3.05 Favored Glycine 0 C--N 1.355 1.634 0 CA-C-O 117.609 -1.662 . . . . 0.0 109.739 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.53 42.15 1.98 Allowed Glycine 0 C--N 1.356 1.645 0 N-CA-C 108.929 -1.668 . . . . 0.0 108.929 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -161.47 155.75 22.6 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.094 -0.955 . . . . 0.0 108.765 -175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.1 tp -117.64 152.19 35.7 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.214 -171.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 42.3 t -133.58 145.81 32.98 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 CA-C-O 117.016 -1.468 . . . . 0.0 109.934 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.2 p -155.35 157.7 3.97 Favored 'Isoleucine or valine' 0 C--N 1.352 0.682 0 CA-C-N 120.45 1.477 . . . . 0.0 110.126 170.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -147.48 125.19 11.83 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 34.1 m-85 -111.04 161.02 26.78 Favored Pre-proline 0 C--N 1.354 0.784 0 CA-C-O 115.793 -2.051 . . . . 0.0 106.189 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -78.57 61.39 7.93 Favored 'Trans proline' 0 C--N 1.358 1.064 0 CA-C-N 124.212 2.54 . . . . 0.0 109.273 173.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -170.23 -66.45 0.02 OUTLIER 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -174.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.557 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 5.3 p90 -127.06 -174.58 3.19 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -141.36 155.85 45.89 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 176.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.71 157.05 34.44 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.962 1.255 . . . . 0.0 109.881 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.3 p -145.86 103.58 3.78 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.3 m -81.31 163.46 22.9 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -159.14 112.95 2.34 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.697 -1.144 . . . . 0.0 109.888 -169.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -81.27 149.01 5.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 119.682 1.128 . . . . 0.0 108.445 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.9 t -137.41 76.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.63 -85.74 0.75 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -136.92 58.11 1.74 Allowed 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -169.14 138.05 2.05 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 116.894 -1.526 . . . . 0.0 107.141 -172.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.2 tp -104.61 134.64 47.44 Favored 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 m -135.99 160.87 38.67 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 175.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -149.5 171.33 16.78 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.761 -1.114 . . . . 0.0 109.836 -174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.3 110.84 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 27.0 p -80.62 -179.52 7.26 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-O 117.676 -1.154 . . . . 0.0 109.077 -177.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.7 m -165.08 148.48 8.44 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.194 -1.384 . . . . 0.0 111.151 171.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -156.15 67.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.868 0 CA-C-N 119.939 1.245 . . . . 0.0 110.595 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 55.53 29.31 53.47 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-O 117.779 -1.567 . . . . 0.0 113.198 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.67 -54.0 0.38 Allowed Glycine 0 C--N 1.354 1.535 0 CA-C-N 119.8 1.8 . . . . 0.0 111.57 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.88 155.82 3.08 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.1 m -145.32 145.11 31.09 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 115.81 -2.043 . . . . 0.0 106.501 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -132.66 105.81 7.41 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 120.626 1.557 . . . . 0.0 109.511 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -88.77 162.25 16.33 Favored 'General case' 0 C--N 1.361 1.099 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.342 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -160.0 173.67 15.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 117.648 -1.168 . . . . 0.0 109.422 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.82 81.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.57 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 -174.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.1 m -78.25 108.53 11.65 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -71.37 170.0 14.11 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-N 120.383 1.447 . . . . 0.0 110.113 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -105.22 83.02 1.91 Allowed 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.187 0.93 . . . . 0.0 108.566 -170.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.61 -156.21 0.35 Allowed 'General case' 0 C--N 1.35 0.59 0 CA-C-O 116.539 -1.696 . . . . 0.0 106.731 -174.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.695 0 CA-C-N 120.971 1.714 . . . . 0.0 109.803 179.653 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 58.09 67.87 0.9 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 m -158.1 116.43 3.07 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.524 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.83 -173.49 35.14 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-N 120.509 1.504 . . . . 0.0 111.954 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -110.73 143.03 41.86 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 173.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -147.58 169.06 20.42 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.394 -1.289 . . . . 0.0 110.804 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.24 144.98 21.4 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.045 1.293 . . . . 0.0 110.704 173.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mtt -70.96 85.38 0.7 Allowed 'General case' 0 C--N 1.357 0.919 0 CA-C-N 119.082 0.855 . . . . 0.0 109.687 -172.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -53.75 -46.65 70.95 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 120.101 -0.64 . . . . 0.0 109.434 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.5 t -146.57 160.77 41.72 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 118.256 -0.878 . . . . 0.0 109.996 -174.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -131.25 163.78 27.03 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.365 -1.302 . . . . 0.0 109.208 -178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -119.39 -59.91 1.78 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.152 -0.928 . . . . 0.0 110.983 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -123.28 43.58 2.91 Favored 'General case' 0 C--N 1.357 0.899 0 CA-C-N 119.507 1.049 . . . . 0.0 109.365 -176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 1.1 t80 -67.72 -47.14 70.2 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.492 -0.766 . . . . 0.0 112.975 -178.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -62.4 -66.04 0.6 Allowed 'General case' 0 C--N 1.351 0.636 0 CA-C-N 119.749 1.159 . . . . 0.0 111.144 -169.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -52.21 -39.6 60.41 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.634 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -53.06 -48.52 67.63 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 119.948 1.249 . . . . 0.0 111.424 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -42.31 95.75 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -58.0 -40.96 82.03 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.271 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mp -80.57 -50.72 9.62 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 119.507 1.048 . . . . 0.0 108.755 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.0 tp -41.96 -40.86 2.32 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.945 -0.55 . . . . 0.0 109.942 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.4 65.65 0.64 Allowed Glycine 0 C--N 1.355 1.588 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 171.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.7 mm -121.96 159.81 24.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.788 0 CA-C-O 117.992 -1.004 . . . . 0.0 108.695 -175.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.2 t -83.69 132.06 34.89 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.711 -1.137 . . . . 0.0 112.518 -171.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 65.9 p -47.32 -36.11 8.93 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.497 1.044 . . . . 0.0 112.651 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -57.59 -51.93 67.5 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 119.197 0.908 . . . . 0.0 109.294 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -78.08 -26.33 14.45 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-O 117.488 -1.244 . . . . 0.0 110.657 -176.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.04 -54.61 31.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 176.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -58.08 -34.48 70.18 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.401 -175.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 34' ' ' PHE . 51.7 mtmt -70.81 -67.41 0.51 Allowed 'General case' 0 C--N 1.355 0.805 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 177.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.67 -29.51 0.3 Allowed 'General case' 0 C--N 1.349 0.554 0 CA-C-N 119.843 1.201 . . . . 0.0 112.865 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.7 ttp85 -69.81 -61.81 1.63 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 119.826 1.194 . . . . 0.0 109.387 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -76.32 -49.97 15.51 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -174.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 30' ' ' LYS . 84.0 t80 -53.86 114.4 1.56 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 175.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -76.94 138.0 39.41 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.1 mt -101.17 147.89 7.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.9 t -104.22 156.06 5.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 m -136.14 131.1 34.27 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 117.53 -1.224 . . . . 0.0 108.389 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -124.5 148.51 47.68 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.69 142.03 29.04 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.405 -1.283 . . . . 0.0 109.868 179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -139.19 81.6 1.85 Allowed 'General case' 0 C--N 1.356 0.874 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 171.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.48 146.02 52.69 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-O 117.493 -1.241 . . . . 0.0 109.578 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -113.16 -61.31 1.76 Allowed 'General case' 0 C--N 1.358 0.972 0 CA-C-N 119.131 0.878 . . . . 0.0 111.202 -173.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 171.88 69.47 0.04 OUTLIER Glycine 0 C--N 1.355 1.597 0 CA-C-N 119.773 1.17 . . . . 0.0 110.713 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 96.09 -50.78 0.01 OUTLIER 'General case' 0 C--N 1.352 0.693 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 -170.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -77.69 152.92 33.49 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 170.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.411 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 9.7 m-85 -128.07 163.45 24.56 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 177.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.4 p -134.27 65.25 1.58 Allowed 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -69.01 164.47 22.29 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.8 m -155.33 159.22 39.79 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 119.112 -1.035 . . . . 0.0 109.547 164.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -152.0 144.28 24.0 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-O 116.946 -1.502 . . . . 0.0 107.803 173.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -126.31 140.08 52.8 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 117.332 -1.318 . . . . 0.0 111.714 -161.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CE2' ' CD2' ' A' ' 57' ' ' HIS . 27.7 p90 -161.83 166.99 25.59 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.1 t 53.03 41.02 32.14 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-O 118.656 -0.687 . . . . 0.0 111.456 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 34.03 50.86 0.65 Allowed Glycine 0 C--N 1.357 1.699 0 CA-C-O 119.16 -0.8 . . . . 0.0 113.244 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.84 -51.45 0.35 Allowed Glycine 0 C--N 1.352 1.422 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.877 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.59 ' CD2' ' CE2' ' A' ' 53' ' ' TYR . 19.6 t60 -64.95 92.05 0.1 Allowed 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 176.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.7 m -93.03 105.25 17.38 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 169.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 52.6 ttp -79.98 158.51 26.55 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 172.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.06 154.26 49.28 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 117.511 -1.233 . . . . 0.0 110.195 172.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -134.81 72.27 1.45 Allowed 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -70.96 150.28 45.84 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 171.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 14.0 p90 -165.68 164.34 19.02 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.129 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 28.6 m -119.3 134.02 55.43 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.5 m -91.73 145.89 6.96 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 -171.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.34 19.57 76.12 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-O 117.205 -1.886 . . . . 0.0 109.826 -172.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -141.71 -64.3 0.44 Allowed 'General case' 0 C--N 1.36 1.033 0 CA-C-N 119.826 1.813 . . . . 0.0 110.697 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.259 8.5 pt-20 118.74 157.73 0.0 OUTLIER 'General case' 0 C--N 1.359 0.992 0 C-N-CA 124.886 1.274 . . . . 0.0 108.506 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.9 m -156.57 165.44 36.28 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.917 -1.04 . . . . 0.0 109.602 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -77.55 85.41 3.91 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.5 mt -84.98 133.36 29.49 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 -173.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -86.5 -19.03 30.13 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 116.573 -1.679 . . . . 0.0 112.519 -171.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 75' ' ' GLY . 66.7 p 61.36 172.61 0.11 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 121.112 1.778 . . . . 0.0 112.686 169.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 1.3 -63.05 0.0 OUTLIER 'General case' 0 C--N 1.357 0.924 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 73' ' ' THR . . . 174.2 -83.38 0.08 OUTLIER Glycine 0 C--N 1.354 1.561 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.66 -33.49 84.56 Favored Glycine 0 C--N 1.353 1.526 0 N-CA-C 109.926 -1.269 . . . . 0.0 109.926 175.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -64.39 162.9 14.15 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.44 -1.266 . . . . 0.0 108.473 177.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.449 ' C ' ' CG ' ' A' ' 79' ' ' PHE . 15.3 t -169.36 149.8 4.14 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 119.599 1.09 . . . . 0.0 110.117 177.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CG ' ' C ' ' A' ' 78' ' ' THR . 0.2 OUTLIER -164.46 176.68 8.8 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 118.924 0.783 . . . . 0.0 110.507 -179.363 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -108.62 139.16 43.79 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 168.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -155.64 143.9 20.09 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 116.873 -1.537 . . . . 0.0 110.684 -163.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.5 m -94.89 107.45 19.48 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.474 -1.251 . . . . 0.0 111.26 -172.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 77.5 t -82.73 146.34 7.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 175.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -141.77 -171.53 3.36 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.1 ttm -143.93 149.29 36.6 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.316 -174.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -128.77 76.13 1.69 Allowed 'General case' 0 C--N 1.353 0.741 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 171.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 66.06 -111.65 4.32 Favored Glycine 0 C--N 1.354 1.547 0 CA-C-O 117.6 -1.666 . . . . 0.0 109.742 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.87 36.46 3.88 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-N 119.468 1.634 . . . . 0.0 110.931 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -144.75 152.79 40.91 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.727 -1.606 . . . . 0.0 107.336 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tp -117.68 152.01 36.09 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.34 1.427 . . . . 0.0 110.566 -174.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.1 t -130.44 145.66 35.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.815 0 CA-C-O 116.741 -1.599 . . . . 0.0 110.105 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -154.65 157.91 4.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.731 0 CA-C-N 120.518 1.508 . . . . 0.0 110.208 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -142.97 128.85 19.45 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.856 -1.068 . . . . 0.0 108.321 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -104.06 160.86 24.71 Favored Pre-proline 0 C--N 1.354 0.792 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -76.49 55.13 4.61 Favored 'Trans proline' 0 C--N 1.355 0.896 0 CA-C-N 124.169 2.525 . . . . 0.0 110.619 173.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -168.49 -71.98 0.02 OUTLIER 'General case' 0 C--N 1.356 0.89 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -174.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -111.1 178.33 4.38 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.401 ' CE1' HG23 ' A' ' 100' ' ' THR . 0.7 OUTLIER -135.57 156.91 48.12 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 176.183 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -153.99 153.5 32.09 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 119.706 1.139 . . . . 0.0 109.329 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.401 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.6 OUTLIER -139.01 103.36 4.76 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 178.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.3 m -77.31 164.0 25.94 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -158.03 129.98 6.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.07 -1.443 . . . . 0.0 111.517 -174.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.11 147.83 7.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 119.838 1.199 . . . . 0.0 108.075 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.7 t -139.64 77.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.25 -79.65 0.89 Allowed Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -139.03 58.89 1.63 Allowed 'General case' 0 C--N 1.355 0.816 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -169.4 143.7 2.9 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 116.703 -1.617 . . . . 0.0 108.163 -174.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.5 tp -111.42 137.83 48.7 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 104.077 -2.564 . . . . 0.0 104.077 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -140.27 150.29 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 104.704 -2.332 . . . . 0.0 104.704 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -138.63 165.25 27.39 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.265 -1.35 . . . . 0.0 108.446 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -148.11 98.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.36 175.91 8.68 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.812 -1.089 . . . . 0.0 108.081 -176.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.4 m -164.76 144.93 7.42 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-O 116.361 -1.78 . . . . 0.0 111.267 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.7 tt -155.96 65.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.353 0.724 0 CA-C-N 121.028 1.74 . . . . 0.0 110.957 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 48.9 44.8 31.93 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-O 118.598 -1.112 . . . . 0.0 112.358 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 154.13 -45.34 0.56 Allowed Glycine 0 C--N 1.354 1.549 0 CA-C-O 118.491 -1.172 . . . . 0.0 112.365 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 78.5 t -119.33 158.23 20.86 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.18 -174.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 32.4 m -130.93 171.41 13.22 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.418 -1.277 . . . . 0.0 108.132 -175.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -144.25 91.74 2.24 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.096 1.316 . . . . 0.0 108.422 167.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -83.2 151.89 25.47 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-O 118.026 -0.988 . . . . 0.0 111.102 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.57 169.18 23.29 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-O 118.161 -0.923 . . . . 0.0 108.731 -174.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.14 79.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.4 m -70.36 89.43 0.67 Allowed 'General case' 0 C--N 1.353 0.742 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 177.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -69.44 171.84 8.11 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 115.756 -2.068 . . . . 0.0 108.568 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.417 ' CZ ' ' O ' ' A' ' 125' ' ' ARG . 0.0 OUTLIER -107.65 105.52 15.43 Favored 'General case' 0 C--N 1.358 0.967 0 CA-C-N 121.47 1.941 . . . . 0.0 106.449 -173.173 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 126' ' ' LEU . 0.6 OUTLIER -175.12 -155.4 0.05 Allowed 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.669 -1.634 . . . . 0.0 106.814 -169.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.686 0 CA-C-N 121.085 1.766 . . . . 0.0 110.752 176.37 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.541 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.244 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -62.32 75.54 0.02 OUTLIER 'General case' 0 C--N 1.355 0.829 0 CA-C-N 118.372 0.533 . . . . 0.0 111.637 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.1 m -164.95 115.53 1.14 Allowed 'General case' 0 C--N 1.349 0.587 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.45 172.54 24.76 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 120.079 1.309 . . . . 0.0 111.101 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 6' ' ' PHE . 15.4 ptmt -88.31 159.73 17.95 Favored 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 174.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.451 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 55.0 m-85 -160.68 170.9 19.86 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 116.775 -1.584 . . . . 0.0 110.931 177.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -153.35 147.57 25.75 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.937 1.699 . . . . 0.0 111.676 167.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.3 ttp -64.18 145.67 55.57 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -152.03 -60.96 0.16 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 120.034 1.288 . . . . 0.0 109.705 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 m -86.35 161.66 18.59 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 171.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -170.5 146.52 2.79 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 116.825 -1.56 . . . . 0.0 106.819 -172.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -159.93 158.77 31.37 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.99 1.723 . . . . 0.0 111.109 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 49.48 27.02 1.87 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.847 1.203 . . . . 0.0 112.229 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -42.15 11.46 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 118.574 0.625 . . . . 0.0 110.406 -173.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -52.77 -56.16 17.65 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.775 0.716 . . . . 0.0 110.3 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -62.42 -49.13 76.7 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.029 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -46.15 -38.57 8.38 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 119.923 1.238 . . . . 0.0 111.404 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 41.8 mtt -78.5 -34.86 47.15 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.78 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -64.14 -38.83 92.46 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.728 1.149 . . . . 0.0 108.766 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.3 -50.52 53.01 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.553 1.069 . . . . 0.0 108.356 175.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.0 tp -53.92 -40.1 66.43 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.564 -0.731 . . . . 0.0 110.944 -173.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.97 73.77 0.83 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 108.463 -1.855 . . . . 0.0 108.463 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.7 mm -133.8 158.97 42.7 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 117.741 -1.123 . . . . 0.0 108.942 -173.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.3 t -91.21 140.64 29.61 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 119.3 0.955 . . . . 0.0 111.656 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.7 p -51.7 -36.33 46.25 Favored 'General case' 0 C--N 1.357 0.891 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -170.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -61.09 -47.5 86.04 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 120.003 1.274 . . . . 0.0 108.965 -176.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 m -75.77 -22.34 16.08 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 CA-C-O 117.266 -1.35 . . . . 0.0 111.178 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.65 -57.89 9.79 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 121.195 1.816 . . . . 0.0 106.44 171.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -56.94 -33.19 66.76 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.986 -0.686 . . . . 0.0 110.491 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -66.34 -51.87 52.87 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.2 -44.4 0.86 Allowed 'General case' 0 C--N 1.355 0.836 0 O-C-N 123.224 0.327 . . . . 0.0 111.804 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.2 ttt85 -67.95 -48.39 66.01 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.981 -178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -92.11 47.43 1.33 Allowed 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.029 0.831 . . . . 0.0 110.015 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -152.19 116.6 5.01 Favored 'General case' 0 C--N 1.356 0.878 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.609 -179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -87.86 75.06 8.93 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 mm -44.89 128.67 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-O 116.843 -1.551 . . . . 0.0 107.12 176.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.1 t -85.53 154.14 3.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.919 0 N-CA-C 105.512 -2.033 . . . . 0.0 105.512 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 m -142.88 136.72 28.94 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -136.42 145.65 45.52 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t -139.51 147.39 24.27 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 118.114 -0.946 . . . . 0.0 109.662 -176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -144.62 93.71 2.45 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 106.527 -1.657 . . . . 0.0 106.527 169.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -63.7 147.7 50.97 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -143.96 66.59 1.28 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -170.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.88 -159.12 53.36 Favored Glycine 0 C--N 1.352 1.444 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 -172.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -49.75 -34.64 19.72 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.773 174.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -77.92 151.25 33.85 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.899 1.227 . . . . 0.0 110.838 174.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -127.52 164.49 21.84 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 174.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.62 83.72 2.0 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 172.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.1 t-105 -84.19 166.81 17.26 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.726 -1.13 . . . . 0.0 109.06 -174.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.8 m -153.18 153.63 33.12 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.732 -1.127 . . . . 0.0 111.86 166.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -133.38 84.95 2.17 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 105.601 -2.0 . . . . 0.0 105.601 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -79.59 152.4 30.09 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-O 118.61 -0.709 . . . . 0.0 111.309 -168.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.404 ' CE2' ' CE1' ' A' ' 57' ' ' HIS . 2.7 m-85 -98.76 -69.06 0.77 Allowed 'General case' 0 C--N 1.354 0.763 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.0 t -160.5 53.84 0.32 Allowed 'General case' 0 C--N 1.354 0.78 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.84 52.8 50.13 Favored Glycine 0 C--N 1.353 1.516 0 N-CA-C 109.409 -1.476 . . . . 0.0 109.409 -176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.94 -79.43 0.04 OUTLIER Glycine 0 C--N 1.354 1.581 0 N-CA-C 110.217 -1.153 . . . . 0.0 110.217 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.404 ' CE1' ' CE2' ' A' ' 53' ' ' TYR . 3.4 t-160 -78.27 75.79 4.79 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 105.167 -2.16 . . . . 0.0 105.167 172.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.9 m -80.46 103.61 10.44 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 172.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 ttp -82.23 150.97 27.05 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.19 150.52 35.07 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 121.371 1.896 . . . . 0.0 112.894 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -132.11 75.26 1.63 Allowed 'General case' 0 C--N 1.358 0.972 0 O-C-N 124.127 0.892 . . . . 0.0 108.968 -175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -74.5 149.68 40.17 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 169.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -167.13 169.35 12.81 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 117.675 -1.155 . . . . 0.0 109.129 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -128.94 132.77 47.66 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -90.42 147.66 5.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -165.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.41 10.15 56.67 Favored Glycine 0 C--N 1.351 1.398 0 CA-C-O 116.195 -2.447 . . . . 0.0 111.562 -172.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -137.36 1.11 2.37 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 120.992 2.396 . . . . 0.0 116.112 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 63.28 138.49 0.02 OUTLIER 'General case' 0 C--N 1.351 0.646 0 CA-C-N 120.823 1.647 . . . . 0.0 114.29 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.4 m -165.12 157.06 15.29 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 117.142 -1.409 . . . . 0.0 108.347 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -75.2 144.1 42.84 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 120.286 1.403 . . . . 0.0 108.04 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.0 mt -139.93 144.96 27.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 CA-C-O 117.168 -1.396 . . . . 0.0 107.366 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -89.37 -32.84 17.11 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.217 -1.373 . . . . 0.0 111.457 -172.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 p 74.78 166.27 0.29 Allowed 'General case' 0 CA--C 1.503 -0.837 0 CA-C-N 119.593 1.088 . . . . 0.0 110.721 172.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 74.3 mmm -67.07 -32.34 73.45 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.385 174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.49 160.76 32.05 Favored Glycine 0 C--N 1.354 1.562 0 N-CA-C 108.909 -1.676 . . . . 0.0 108.909 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.11 -53.39 7.01 Favored Glycine 0 C--N 1.347 1.161 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.5 150.13 3.88 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 118.633 -0.699 . . . . 0.0 110.54 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.5 m -91.83 155.46 18.2 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -138.82 179.92 6.2 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.727 0.694 . . . . 0.0 109.453 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -134.08 148.32 51.01 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -156.36 162.92 40.02 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 117.163 -1.398 . . . . 0.0 110.324 -172.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.2 m -101.47 96.65 7.28 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -70.22 144.38 13.81 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 105.442 -2.058 . . . . 0.0 105.442 175.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -139.73 176.7 8.51 Favored 'General case' 0 CA--C 1.508 -0.644 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 173.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.1 mtp -132.14 170.7 14.63 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -177.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -160.53 70.77 0.42 Allowed 'General case' 0 C--N 1.352 0.702 0 O-C-N 124.114 0.884 . . . . 0.0 111.008 169.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.08 -110.24 3.8 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-O 117.464 -1.742 . . . . 0.0 108.877 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.74 42.03 2.04 Favored Glycine 0 C--N 1.356 1.658 0 N-CA-C 108.624 -1.791 . . . . 0.0 108.624 176.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -152.34 152.55 32.22 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 118.023 0.912 . . . . 0.0 108.867 -176.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.7 tp -123.32 154.58 38.7 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.41 -168.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.0 t -138.49 143.55 32.24 Favored 'Isoleucine or valine' 0 C--N 1.354 0.775 0 CA-C-O 116.505 -1.712 . . . . 0.0 109.965 -171.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.18 156.03 5.3 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 120.855 1.661 . . . . 0.0 110.423 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -149.37 118.53 6.78 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.82 -1.086 . . . . 0.0 108.407 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.515 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 17.9 m-85 -107.26 158.02 34.11 Favored Pre-proline 0 C--N 1.357 0.903 0 CA-C-O 115.784 -2.055 . . . . 0.0 106.04 -177.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.1 71.03 5.21 Favored 'Trans proline' 0 C--N 1.358 1.046 0 CA-C-N 123.825 2.402 . . . . 0.0 107.547 173.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 178.06 -47.77 0.01 OUTLIER 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.344 -170.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.515 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 10.2 p90 -155.53 -178.54 7.35 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.472 ' CE1' HG23 ' A' ' 100' ' ' THR . 1.3 t-80 -136.6 155.23 50.2 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 176.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -155.55 150.93 27.0 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.959 -1.02 . . . . 0.0 108.713 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.472 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -140.32 110.53 6.6 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 178.331 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 t -84.59 163.88 19.04 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 120.166 1.348 . . . . 0.0 108.429 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -159.97 100.42 1.41 Allowed 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.531 1.06 . . . . 0.0 110.082 -170.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.9 mm -65.55 145.99 13.55 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 CA-C-O 117.778 -1.106 . . . . 0.0 110.33 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.1 t -130.25 82.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.961 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 62.31 -85.9 0.04 OUTLIER Glycine 0 C--N 1.355 1.597 0 CA-C-O 118.69 -1.061 . . . . 0.0 110.456 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.51 55.96 1.66 Allowed 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.98 171.16 18.77 Favored 'General case' 0 C--N 1.35 0.619 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 tp -140.65 117.57 11.11 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 104.87 -2.271 . . . . 0.0 104.87 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.47 160.92 22.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 CA-C-N 120.621 1.555 . . . . 0.0 108.985 -177.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -139.2 157.26 46.24 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.313 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 58.6 t -135.31 95.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.77 172.39 13.18 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.4 m -165.97 150.98 8.45 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 116.331 -1.795 . . . . 0.0 110.552 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.7 tt -159.32 -52.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.822 0 CA-C-N 120.895 1.68 . . . . 0.0 114.368 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.41 69.8 0.23 Allowed Glycine 0 C--N 1.353 1.503 0 CA-C-N 120.826 1.648 . . . . 0.0 109.885 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.37 26.89 72.49 Favored Glycine 0 C--N 1.353 1.476 0 CA-C-O 118.165 -1.353 . . . . 0.0 110.482 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.5 t -147.42 149.56 15.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -139.28 164.36 30.04 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.442 -1.266 . . . . 0.0 107.994 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -133.5 94.95 3.4 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 168.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -78.52 147.03 34.0 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.261 0.937 . . . . 0.0 109.374 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -153.91 152.31 30.46 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 116.257 -1.83 . . . . 0.0 108.109 -171.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 16.1 t -136.8 83.61 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.813 0 CA-C-N 120.235 1.38 . . . . 0.0 108.631 -168.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 m -72.2 109.41 5.94 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.43 176.89 2.12 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 116.784 -1.579 . . . . 0.0 110.017 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 36.0 tpt85 -106.85 72.69 0.91 Allowed 'General case' 0 C--N 1.36 1.044 0 CA-C-N 120.173 1.351 . . . . 0.0 111.427 -169.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.55 -158.99 0.14 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.641 0 CA-C-N 120.83 1.65 . . . . 0.0 109.721 174.573 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.587 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -64.75 75.25 0.04 OUTLIER 'General case' 0 C--N 1.354 0.764 0 CA-C-N 118.25 0.477 . . . . 0.0 110.377 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -164.34 119.02 1.45 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-O 117.122 -1.418 . . . . 0.0 107.326 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.3 -178.47 27.74 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 120.38 1.445 . . . . 0.0 110.972 177.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -99.59 145.33 27.67 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -144.86 163.62 33.54 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 116.505 -1.712 . . . . 0.0 108.888 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -144.79 132.86 21.48 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 120.752 1.614 . . . . 0.0 109.429 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ttp -52.88 130.22 32.61 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-O 116.753 -1.594 . . . . 0.0 107.87 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -106.88 -52.61 2.74 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 120.299 1.409 . . . . 0.0 109.133 172.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.7 p -135.63 166.46 23.19 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.305 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -132.06 171.94 13.0 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -156.07 133.63 10.95 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 116.87 -1.538 . . . . 0.0 108.022 174.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 61.0 14.23 5.17 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 120.131 1.332 . . . . 0.0 113.995 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 2.9 p90 -71.98 -40.68 68.43 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 120.536 1.516 . . . . 0.0 110.372 177.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 8.2 t0 -60.6 -49.45 77.48 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 120.075 -0.65 . . . . 0.0 109.257 -170.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.69 -47.08 85.18 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 119.585 -0.846 . . . . 0.0 108.934 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -52.31 -39.05 60.08 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 118.957 -1.097 . . . . 0.0 111.048 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -42.55 76.49 Favored 'General case' 0 CA--C 1.511 -0.521 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . 0.264 0.0 OUTLIER -62.82 -32.12 73.26 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.036 -174.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mp -77.87 -54.51 6.23 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 119.793 1.179 . . . . 0.0 108.76 171.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.4 tp -50.41 -41.16 51.92 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.587 -169.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 110.78 70.62 0.62 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -132.78 160.99 42.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.907 -172.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.2 t -80.06 156.91 26.88 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.29 0.95 . . . . 0.0 113.542 -170.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 71.7 p -61.15 -43.6 98.63 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 119.198 -0.429 . . . . 0.0 110.497 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -54.17 -52.23 61.83 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.049 -175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 m -74.73 -33.36 30.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 CA-C-O 117.87 -1.062 . . . . 0.0 109.874 -174.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.9 mt -51.52 -53.91 14.28 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-N 119.907 1.231 . . . . 0.0 108.815 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -58.63 -34.33 71.06 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 119.501 -0.88 . . . . 0.0 110.509 -176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.77 -51.41 22.83 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 118.14 -0.933 . . . . 0.0 109.496 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.26 -46.16 1.49 Allowed 'General case' 0 C--N 1.353 0.722 0 CA-C-N 118.846 0.748 . . . . 0.0 110.319 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -62.13 -58.99 5.74 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-O 118.479 -0.772 . . . . 0.0 109.041 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -100.81 53.0 0.86 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 118.332 0.515 . . . . 0.0 111.073 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -148.25 115.18 6.09 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-O 117.413 -1.279 . . . . 0.0 109.166 174.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -71.47 78.88 0.78 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 120.056 1.298 . . . . 0.0 108.087 172.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.1 mm -51.28 145.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 117.837 -1.078 . . . . 0.0 108.115 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.2 t -98.51 153.71 4.05 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.2 m -143.84 143.76 31.46 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -141.05 146.69 37.51 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.85 150.28 19.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 CA-C-N 119.954 1.252 . . . . 0.0 111.646 -177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -144.84 106.38 4.24 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 171.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -82.65 87.47 6.73 Favored 'General case' 0 CA--C 1.508 -0.666 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -81.33 70.42 8.18 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.52 -155.82 52.47 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 119.968 -1.11 . . . . 0.0 111.701 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -48.32 -32.87 7.99 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 117.654 -1.165 . . . . 0.0 110.751 176.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -84.07 150.88 25.29 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.217 1.371 . . . . 0.0 109.079 174.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -124.78 162.99 23.09 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.21 79.53 1.81 Allowed 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.59 -2.744 . . . . 0.0 103.59 174.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -88.09 161.63 17.22 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 117.769 -1.11 . . . . 0.0 108.879 -175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.0 m -152.66 152.3 31.59 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 117.364 -1.303 . . . . 0.0 111.295 165.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -126.83 83.28 2.15 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 105.22 -2.141 . . . . 0.0 105.22 177.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -76.02 146.01 39.79 Favored 'General case' 0 CA--C 1.503 -0.851 0 CA-C-O 117.697 -1.144 . . . . 0.0 109.125 -169.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.603 ' CE2' ' CD2' ' A' ' 57' ' ' HIS . 4.5 m-30 -98.17 52.46 1.05 Allowed 'General case' 0 C--N 1.353 0.758 0 N-CA-C 105.756 -1.942 . . . . 0.0 105.756 174.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.3 t 35.94 44.06 0.23 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 119.209 -0.424 . . . . 0.0 111.512 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 172.98 -165.01 37.19 Favored Glycine 0 C--N 1.355 1.598 0 C-N-CA 119.272 -1.442 . . . . 0.0 113.488 -174.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.35 -43.63 84.74 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.046 -1.419 . . . . 0.0 113.214 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.603 ' CD2' ' CE2' ' A' ' 53' ' ' TYR . 8.9 t60 -66.18 88.81 0.12 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 119.282 1.541 . . . . 0.0 107.047 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 54.8 m -94.28 102.68 14.69 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 105.1 -2.185 . . . . 0.0 105.1 170.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.1 ttp -77.78 151.27 34.11 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 104.112 -2.551 . . . . 0.0 104.112 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.84 154.22 39.19 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 121.648 2.022 . . . . 0.0 113.854 -178.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -128.29 70.93 1.37 Allowed 'General case' 0 C--N 1.36 1.056 0 O-C-N 123.955 0.784 . . . . 0.0 109.629 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -74.23 146.25 43.45 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 169.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -171.22 169.79 6.28 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.442 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.3 m -126.14 138.21 53.65 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.36 153.24 3.71 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -168.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.34 22.32 58.45 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-O 117.405 -1.775 . . . . 0.0 109.779 -171.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -141.05 -64.13 0.46 Allowed 'General case' 0 C--N 1.359 1.009 0 CA-C-N 119.471 1.636 . . . . 0.0 109.995 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.25 10.9 pt-20 119.03 155.31 0.0 OUTLIER 'General case' 0 C--N 1.359 0.986 0 C-N-CA 124.714 1.206 . . . . 0.0 107.785 178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -163.02 166.05 24.14 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.143 -1.408 . . . . 0.0 108.984 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -77.81 139.66 39.34 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.279 -2.119 . . . . 0.0 105.279 170.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 41.1 mt -135.26 142.07 40.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 CA-C-N 120.085 1.312 . . . . 0.0 107.657 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -75.42 -41.05 56.97 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 120.036 1.289 . . . . 0.0 111.866 -171.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.1 p 66.37 162.06 0.16 Allowed 'General case' 0 C--N 1.35 0.59 0 O-C-N 124.139 0.899 . . . . 0.0 112.616 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.417 ' C ' ' SD ' ' A' ' 74' ' ' MET . 0.0 OUTLIER 8.9 -76.01 0.0 OUTLIER 'General case' 0 C--N 1.358 0.964 0 O-C-N 125.234 1.584 . . . . 0.0 115.132 -174.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.54 -81.54 0.57 Allowed Glycine 0 C--N 1.355 1.607 0 N-CA-C 107.374 -2.29 . . . . 0.0 107.374 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.67 43.2 1.1 Allowed Glycine 0 C--N 1.354 1.53 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -99.04 61.63 1.26 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -57.23 157.27 6.42 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 119.606 -0.838 . . . . 0.0 112.481 -169.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -158.43 170.78 21.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.682 -1.151 . . . . 0.0 107.932 171.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -102.8 136.49 42.53 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 106.631 -1.618 . . . . 0.0 106.631 170.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.4 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -144.99 158.87 43.68 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 116.532 -1.699 . . . . 0.0 108.824 -173.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 48.3 m -102.43 103.32 13.7 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.821 1.191 . . . . 0.0 108.211 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.3 t -76.56 146.5 8.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -139.69 177.91 7.61 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -133.21 168.35 18.7 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 118.405 0.548 . . . . 0.0 110.097 -173.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -145.5 67.71 1.22 Allowed 'General case' 0 C--N 1.353 0.742 0 O-C-N 124.443 1.089 . . . . 0.0 108.494 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.82 -90.05 0.77 Allowed Glycine 0 C--N 1.354 1.541 0 CA-C-O 118.001 -1.444 . . . . 0.0 109.545 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -122.54 41.77 1.76 Allowed Glycine 0 C--N 1.355 1.634 0 N-CA-C 108.7 -1.76 . . . . 0.0 108.7 176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.06 154.56 37.23 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.851 -1.547 . . . . 0.0 107.409 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.5 tp -126.51 153.45 45.14 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 120.403 1.456 . . . . 0.0 112.259 -166.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 46.4 t -139.33 145.02 27.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.916 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.638 -174.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.6 p -155.54 157.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 120.368 1.44 . . . . 0.0 110.358 171.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -148.57 120.0 7.92 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-O 117.458 -1.258 . . . . 0.0 107.747 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.449 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 15.8 m-85 -107.41 157.81 34.73 Favored Pre-proline 0 C--N 1.357 0.921 0 CA-C-O 115.917 -1.992 . . . . 0.0 106.575 -177.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.39 73.51 2.74 Favored 'Trans proline' 0 C--N 1.358 1.037 0 CA-C-N 123.381 2.243 . . . . 0.0 107.672 170.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 177.07 -50.46 0.01 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.559 -174.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.449 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 7.4 p90 -152.89 179.88 8.26 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.756 -1.116 . . . . 0.0 108.233 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -132.25 153.99 50.09 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 119.659 1.118 . . . . 0.0 108.011 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -160.18 151.44 19.42 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 118.228 -0.892 . . . . 0.0 109.73 -174.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.78 110.69 4.78 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 -172.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -90.32 164.89 14.18 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.273 1.397 . . . . 0.0 108.47 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -154.86 131.58 10.68 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 117.363 -1.303 . . . . 0.0 109.924 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.9 mm -93.32 147.74 5.25 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.1 t -137.18 75.29 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.888 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.05 -85.32 0.8 Allowed Glycine 0 C--N 1.354 1.574 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -135.05 60.56 1.7 Allowed 'General case' 0 C--N 1.353 0.735 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -168.82 142.58 3.01 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-O 117.102 -1.428 . . . . 0.0 107.401 -174.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.2 tp -114.44 137.58 51.66 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 175.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.49 168.85 23.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 119.791 1.178 . . . . 0.0 108.83 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -153.46 151.97 30.46 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.586 -176.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.41 103.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 12.6 p -78.07 -179.42 6.12 Favored 'General case' 0 C--N 1.358 0.974 0 CA-C-O 117.837 -1.078 . . . . 0.0 109.518 -177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 21.5 m -168.9 155.43 6.84 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 116.308 -1.806 . . . . 0.0 109.985 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.7 tt -155.4 -52.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 120.988 1.722 . . . . 0.0 112.989 176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -140.91 -77.43 0.05 OUTLIER Glycine 0 C--N 1.354 1.557 0 N-CA-C 107.863 -2.095 . . . . 0.0 107.863 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.99 34.36 2.99 Favored Glycine 0 C--N 1.355 1.599 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 173.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.6 t -144.77 151.86 15.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 m -137.43 171.1 14.98 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.274 -1.346 . . . . 0.0 107.668 -173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.76 86.63 2.23 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.596 1.544 . . . . 0.0 109.591 170.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.06 151.2 44.78 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 120.421 1.464 . . . . 0.0 109.223 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -163.3 152.56 14.79 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 116.208 -1.853 . . . . 0.0 109.948 -172.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 36.0 m -134.64 98.53 2.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-N 120.589 1.541 . . . . 0.0 110.294 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.9 m -87.18 99.65 12.1 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -59.36 171.24 0.82 Allowed 'General case' 0 C--N 1.353 0.723 0 CA-C-O 117.606 -1.188 . . . . 0.0 110.333 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -107.31 95.65 5.86 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.62 -158.3 0.31 Allowed 'General case' 0 C--N 1.35 0.629 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -171.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.719 0 CA-C-N 120.272 1.397 . . . . 0.0 111.21 -177.702 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.412 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -69.08 75.43 0.33 Allowed 'General case' 0 C--N 1.353 0.75 0 CA-C-N 119.258 0.935 . . . . 0.0 110.891 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 26.1 m -164.27 121.73 1.71 Allowed 'General case' 0 C--N 1.351 0.641 0 CA-C-O 117.343 -1.313 . . . . 0.0 108.05 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.55 178.23 26.1 Favored Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.31 -1.272 . . . . 0.0 110.747 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -94.05 148.06 22.53 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 172.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -147.28 169.92 18.37 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 116.513 -1.708 . . . . 0.0 109.149 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -157.04 143.98 18.52 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 121.405 1.911 . . . . 0.0 111.354 171.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.2 mtm -62.5 158.99 16.57 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.695 0.68 . . . . 0.0 110.611 -177.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -159.81 -59.19 0.06 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.11 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 m -107.42 164.47 12.17 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 175.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 30.4 tt0 -161.38 155.45 22.4 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.331 -1.318 . . . . 0.0 110.759 -166.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -159.99 135.31 8.14 Favored 'General case' 0 C--N 1.359 1.012 0 CA-C-O 116.938 -1.506 . . . . 0.0 111.31 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 53.45 41.3 32.12 Favored 'General case' 0 C--N 1.359 0.993 0 CA-C-N 121.242 1.837 . . . . 0.0 110.4 -178.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -96.73 -53.38 3.57 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 118.476 -0.774 . . . . 0.0 109.299 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.98 -58.0 8.46 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 119.29 -0.964 . . . . 0.0 108.553 178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -51.32 -51.09 57.52 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 119.442 1.019 . . . . 0.0 109.823 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -52.99 -49.23 66.6 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 118.717 -1.193 . . . . 0.0 111.806 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 32.5 mmm -75.19 -48.42 23.62 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 118.615 0.643 . . . . 0.0 109.861 -173.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -38.67 -47.4 1.34 Allowed 'General case' 0 C--N 1.351 0.659 0 O-C-N 123.31 0.381 . . . . 0.0 110.913 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.8 mt -87.38 -36.09 17.98 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.103 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -53.14 -42.07 65.73 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 119.059 0.845 . . . . 0.0 108.773 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 124.42 66.21 0.19 Allowed Glycine 0 C--N 1.356 1.65 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 177.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.4 mm -134.38 157.95 41.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-O 117.478 -1.248 . . . . 0.0 108.774 -174.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.4 t -91.4 137.38 32.41 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.618 1.099 . . . . 0.0 112.275 -175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.2 t -48.86 -41.63 33.79 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -173.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -57.64 -46.6 83.95 Favored 'General case' 0 C--N 1.351 0.665 0 C-N-CA 119.308 -0.957 . . . . 0.0 110.018 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.5 m -75.86 -27.74 18.67 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.282 -178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.4 mt -56.23 -56.4 13.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -56.38 -27.87 57.48 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.347 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -61.61 -61.45 2.51 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.278 1.399 . . . . 0.0 109.33 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.67 -31.29 47.13 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 121.146 1.794 . . . . 0.0 111.339 -173.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -67.19 -61.66 1.81 Allowed 'General case' 0 C--N 1.353 0.745 0 C-N-CA 119.261 -0.975 . . . . 0.0 109.484 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -69.21 -55.2 11.28 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.793 -177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -71.43 134.1 46.37 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.454 -177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -81.4 96.69 7.43 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.84 141.28 17.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 106.236 -1.765 . . . . 0.0 106.236 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.9 t -94.77 154.2 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.892 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.7 m -136.13 121.43 19.18 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 117.083 -1.437 . . . . 0.0 108.138 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -117.47 152.89 34.11 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.3 t -144.36 147.97 18.87 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-O 118.097 -0.954 . . . . 0.0 108.769 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -146.59 91.86 2.09 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.05 164.6 23.67 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 119.254 -0.978 . . . . 0.0 109.256 -173.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -147.48 67.52 1.13 Allowed 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -171.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.79 -151.06 49.6 Favored Glycine 0 C--N 1.351 1.401 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 -173.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -48.28 -38.41 18.7 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-O 118.117 -0.944 . . . . 0.0 110.379 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -77.25 156.07 31.69 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.65 1.113 . . . . 0.0 110.833 177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -131.94 164.36 26.3 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.904 0.775 . . . . 0.0 109.854 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -135.99 67.93 1.46 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -71.39 162.82 28.82 Favored 'General case' 0 CA--C 1.501 -0.928 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -174.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.1 m -156.7 161.12 39.85 Favored 'General case' 0 CA--C 1.506 -0.736 0 C-N-CA 119.02 -1.072 . . . . 0.0 110.05 164.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -151.71 143.64 23.8 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-O 116.838 -1.554 . . . . 0.0 107.938 172.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -130.39 142.07 50.53 Favored 'General case' 0 C--N 1.358 0.971 0 CA-C-O 117.305 -1.331 . . . . 0.0 111.954 -160.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.572 ' CE1' ' CD2' ' A' ' 57' ' ' HIS . 28.0 p90 -165.19 172.87 11.97 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.311 0.96 . . . . 0.0 113.283 -177.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 t 46.94 44.42 14.63 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 175.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 52.88 -92.12 0.01 OUTLIER Glycine 0 C--N 1.353 1.527 0 CA-C-O 118.424 -1.209 . . . . 0.0 111.967 175.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.11 65.46 3.97 Favored Glycine 0 C--N 1.355 1.614 0 CA-C-N 118.929 1.364 . . . . 0.0 111.565 -178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.572 ' CD2' ' CE1' ' A' ' 53' ' ' TYR . 34.9 t60 -164.16 133.8 3.96 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.744 -1.122 . . . . 0.0 109.041 172.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.2 m -135.5 109.41 8.15 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 168.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.4 ttp -76.28 149.38 37.12 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 173.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -140.19 144.18 36.47 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 120.126 1.33 . . . . 0.0 110.556 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -132.33 73.77 1.55 Allowed 'General case' 0 C--N 1.356 0.889 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 -173.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -68.73 151.28 46.86 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 170.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -166.26 168.79 14.85 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.784 -1.103 . . . . 0.0 111.252 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.8 m -126.26 131.08 51.98 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 m -89.87 143.09 11.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -168.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.42 19.42 74.43 Favored Glycine 0 C--N 1.349 1.294 0 CA-C-O 117.311 -1.827 . . . . 0.0 109.642 -175.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.6 tptm -137.77 -71.88 0.43 Allowed 'General case' 0 C--N 1.358 0.966 0 CA-C-N 119.461 1.63 . . . . 0.0 109.518 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.273 14.1 pt-20 124.61 150.56 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.6 m -165.4 159.98 17.58 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.785 178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -67.21 132.11 47.12 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 106.328 -1.731 . . . . 0.0 106.328 174.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 87.0 mt -130.7 134.54 61.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -87.44 123.08 31.99 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 104.872 -2.27 . . . . 0.0 104.872 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.0 p -95.47 171.24 8.81 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 119.425 1.012 . . . . 0.0 113.028 -168.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.14 55.79 3.44 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 171.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.25 -131.18 1.19 Allowed Glycine 0 C--N 1.355 1.638 0 CA-C-O 117.918 -1.49 . . . . 0.0 112.82 -168.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.45 -49.7 7.96 Favored Glycine 0 C--N 1.354 1.582 0 CA-C-N 119.453 1.627 . . . . 0.0 111.646 -173.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.474 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 7.4 ptpp? -165.13 172.58 12.39 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.918 -171.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -69.53 155.72 40.03 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 119.797 1.181 . . . . 0.0 110.034 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.474 ' CE1' ' O ' ' A' ' 77' ' ' LYS . 2.2 m-85 -148.83 168.88 21.81 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.794 -1.098 . . . . 0.0 109.08 172.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -100.86 82.26 2.38 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.481 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -84.79 163.59 19.01 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 117.406 -1.283 . . . . 0.0 109.932 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.1 m -102.99 106.03 16.47 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 117.879 -1.058 . . . . 0.0 109.008 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.15 150.14 4.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.91 0 CA-C-O 117.335 -1.317 . . . . 0.0 107.671 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -144.75 -177.67 5.63 Favored 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 175.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 38.5 ttm -139.54 148.97 43.33 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-O 116.954 -1.498 . . . . 0.0 108.968 -173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -141.09 62.74 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.379 1.445 . . . . 0.0 110.399 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 64.93 80.59 0.14 Allowed Glycine 0 C--N 1.353 1.526 0 C-N-CA 119.906 -1.14 . . . . 0.0 110.999 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 65.52 37.37 93.62 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -158.11 149.98 21.72 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 116.639 -1.648 . . . . 0.0 108.092 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tp -120.39 157.97 28.15 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.934 1.243 . . . . 0.0 109.197 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.2 t -143.47 141.73 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.832 0 CA-C-O 116.115 -1.898 . . . . 0.0 108.885 -172.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -155.89 157.03 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 121.09 1.768 . . . . 0.0 110.232 173.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -149.92 121.49 8.0 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.525 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.481 ' CD2' ' HB2' ' A' ' 81' ' ' ALA . 10.4 m-85 -112.57 157.14 41.1 Favored Pre-proline 0 C--N 1.356 0.89 0 CA-C-O 115.949 -1.977 . . . . 0.0 105.734 -176.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.81 74.98 2.73 Favored 'Trans proline' 0 C--N 1.356 0.971 0 CA-C-N 123.672 2.347 . . . . 0.0 107.7 170.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 177.37 -51.05 0.01 OUTLIER 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.793 -0.622 . . . . 0.0 109.998 -174.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' A' ' 94' ' ' PHE . 2.9 p90 -154.24 -175.99 5.66 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 177.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.461 ' CE1' HG23 ' A' ' 100' ' ' THR . 0.7 OUTLIER -134.87 157.47 46.74 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 175.595 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.63 150.71 28.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.591 178.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.461 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.8 OUTLIER -134.3 108.99 8.53 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 174.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 56.4 m -80.91 163.81 23.07 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-O 117.739 -1.124 . . . . 0.0 107.996 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -161.11 130.08 4.63 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.196 -1.383 . . . . 0.0 110.835 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mm -89.67 145.84 6.92 Favored 'Isoleucine or valine' 0 C--N 1.359 1.004 0 CA-C-N 119.71 1.141 . . . . 0.0 107.937 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.4 t -136.23 73.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.862 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.13 -86.05 0.58 Allowed Glycine 0 C--N 1.355 1.605 0 N-CA-C 109.928 -1.269 . . . . 0.0 109.928 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -135.26 57.7 1.79 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -170.37 133.36 1.07 Allowed 'General case' 0 C--N 1.351 0.635 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -175.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.5 tp -102.2 142.02 34.1 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 104.907 -2.257 . . . . 0.0 104.907 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.19 165.13 28.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-N 119.777 1.171 . . . . 0.0 108.564 175.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -146.14 162.1 38.72 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.188 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.6 t -138.44 93.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.848 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.9 p -72.77 170.08 15.37 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 65.9 m -166.13 156.41 12.52 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 116.927 -1.511 . . . . 0.0 110.671 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.3 tt -156.1 -51.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.794 0 CA-C-N 120.023 1.283 . . . . 0.0 112.587 174.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -139.0 -78.56 0.06 OUTLIER Glycine 0 C--N 1.356 1.639 0 N-CA-C 108.19 -1.964 . . . . 0.0 108.19 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -127.23 33.71 3.26 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 110.079 -1.208 . . . . 0.0 110.079 175.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 67.6 t -141.28 154.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -155.05 130.67 9.88 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 116.458 -1.734 . . . . 0.0 108.077 -174.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -100.3 95.62 6.9 Favored 'General case' 0 C--N 1.352 0.714 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 -178.135 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -81.94 143.54 31.57 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.301 -1.333 . . . . 0.0 108.084 174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.432 ' HB3' ' CE1' ' A' ' 119' ' ' TYR . 20.2 ptt180 -150.74 173.21 14.45 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-O 116.975 -1.488 . . . . 0.0 108.473 -173.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.9 m -141.84 112.0 2.97 Favored 'Isoleucine or valine' 0 C--N 1.35 0.597 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.8 m -94.03 102.07 14.13 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 104.906 -2.257 . . . . 0.0 104.906 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -62.54 167.02 4.67 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 116.955 -1.498 . . . . 0.0 109.804 -176.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.05 95.04 5.5 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -175.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.64 -154.66 0.14 Allowed 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.116 -1.421 . . . . 0.0 107.518 -173.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.658 0 CA-C-N 120.762 1.619 . . . . 0.0 110.232 -178.343 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 118.201 -0.904 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 48.53 76.86 0.11 Allowed 'General case' 0 C--N 1.355 0.833 0 CA-C-N 118.438 0.563 . . . . 0.0 111.555 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.0 m -158.14 122.28 4.12 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.909 -1.043 . . . . 0.0 108.208 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.13 -174.15 37.68 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-O 118.419 -1.212 . . . . 0.0 111.067 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -112.39 142.81 44.47 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 173.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -147.94 168.67 21.66 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 116.948 -1.501 . . . . 0.0 109.749 -175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -152.81 153.43 33.11 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 120.782 1.628 . . . . 0.0 110.927 171.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.5 ttm -70.51 141.77 51.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.215 -1.374 . . . . 0.0 110.507 -170.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -115.8 -57.56 2.21 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.023 0.827 . . . . 0.0 109.176 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -146.18 174.34 11.41 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.89 -176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -138.86 174.39 10.57 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.703 -1.142 . . . . 0.0 109.667 -173.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -118.34 -61.09 1.71 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-O 117.775 -1.107 . . . . 0.0 110.822 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -126.6 34.83 4.73 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 119.597 1.09 . . . . 0.0 110.591 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CE1' ' SD ' ' A' ' 18' ' ' MET . 39.4 t80 -56.72 -52.7 63.97 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 118.591 -0.719 . . . . 0.0 112.923 -176.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.24 -56.37 20.73 Favored 'General case' 0 C--N 1.35 0.63 0 C-N-CA 119.248 -0.981 . . . . 0.0 110.878 -175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.15 -51.83 67.42 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.384 -0.927 . . . . 0.0 110.01 -175.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -43.62 -40.13 3.93 Favored 'General case' 0 CA--C 1.505 -0.767 0 C-N-CA 119.493 -0.883 . . . . 0.0 111.717 176.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.473 ' SD ' ' CE1' ' A' ' 14' ' ' TYR . 16.1 mtt -82.0 -32.29 30.65 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-O 117.51 -1.234 . . . . 0.0 110.856 -177.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -34.29 59.73 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 120.143 1.338 . . . . 0.0 109.937 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.0 0.84 13.16 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 117.209 -1.377 . . . . 0.0 114.137 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 26.2 tp -70.8 -48.15 55.73 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 164.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.95 62.75 0.08 OUTLIER Glycine 0 C--N 1.359 1.825 0 CA-C-O 117.691 -1.616 . . . . 0.0 110.981 173.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.8 mm -128.75 156.33 41.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.959 0 CA-C-N 119.009 1.404 . . . . 0.0 108.572 -176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.7 t -81.09 149.6 29.13 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.863 -1.065 . . . . 0.0 112.972 -176.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.5 p -72.58 69.55 0.88 Allowed 'General case' 0 C--N 1.36 1.022 0 CA-C-N 119.126 0.876 . . . . 0.0 111.874 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -172.85 -56.01 0.02 OUTLIER 'General case' 0 C--N 1.35 0.589 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 176.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 45.1 t -55.47 -41.93 65.45 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.7 mt -48.37 -64.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 174.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -51.16 -31.75 20.89 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.767 -173.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -67.13 -70.02 0.28 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.401 -1.285 . . . . 0.0 110.133 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.95 -26.57 6.13 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 120.559 1.527 . . . . 0.0 112.316 -168.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -60.61 -63.04 1.44 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.046 176.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -72.02 -53.37 13.15 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 119.356 -0.937 . . . . 0.0 109.141 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -57.11 115.91 2.92 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.154 -0.927 . . . . 0.0 109.773 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -75.09 101.04 4.4 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.8 mt -70.9 146.02 12.25 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.0 t -98.02 155.98 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.888 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 m -141.67 125.29 16.82 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 117.172 -1.394 . . . . 0.0 109.751 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -117.29 154.49 31.13 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.7 t -141.59 144.79 25.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.422 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -146.01 102.64 3.66 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 174.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.18 166.36 6.2 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.735 1.152 . . . . 0.0 110.822 -175.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -150.02 59.32 0.98 Allowed 'General case' 0 C--N 1.351 0.649 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.21 -151.64 50.15 Favored Glycine 0 C--N 1.353 1.502 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -49.52 -34.47 17.41 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.823 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -77.06 147.65 36.58 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 120.13 1.332 . . . . 0.0 110.276 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -119.99 167.59 12.01 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.38 75.53 1.53 Allowed 'General case' 0 C--N 1.357 0.897 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -81.86 162.68 22.71 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 117.514 -1.231 . . . . 0.0 109.316 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.7 m -155.21 149.42 25.92 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.412 -1.28 . . . . 0.0 111.806 166.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -121.95 95.44 4.66 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -82.53 134.42 35.2 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-O 117.262 -1.351 . . . . 0.0 109.425 -172.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -81.87 -71.29 0.49 Allowed 'General case' 0 C--N 1.35 0.619 0 N-CA-C 104.111 -2.551 . . . . 0.0 104.111 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -158.63 56.78 0.44 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 118.901 0.773 . . . . 0.0 108.957 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.15 56.41 20.59 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 -177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.41 -79.45 0.05 OUTLIER Glycine 0 C--N 1.353 1.506 0 C-N-CA 119.889 -1.148 . . . . 0.0 110.252 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -81.48 73.97 8.49 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 173.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.9 m -79.74 97.95 6.81 Favored 'General case' 0 C--N 1.357 0.921 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.5 ttp -75.33 152.93 38.09 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 104.339 -2.467 . . . . 0.0 104.339 173.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.42 153.86 40.12 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 121.026 1.739 . . . . 0.0 112.603 -179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -131.83 75.52 1.65 Allowed 'General case' 0 C--N 1.358 0.937 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -78.37 144.67 35.76 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 172.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -167.36 171.44 10.59 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.733 178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 89.6 m -130.03 133.98 47.1 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -90.58 152.06 3.4 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 CA-C-N 118.787 0.722 . . . . 0.0 109.387 -166.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.06 23.55 59.61 Favored Glycine 0 C--N 1.35 1.359 0 CA-C-O 116.82 -2.1 . . . . 0.0 110.339 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -139.24 -48.83 0.49 Allowed 'General case' 0 C--N 1.36 1.037 0 CA-C-N 119.897 1.848 . . . . 0.0 114.225 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 104.21 132.18 0.01 OUTLIER 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.518 1.053 . . . . 0.0 109.222 175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.6 m -160.18 159.84 32.13 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.188 -1.387 . . . . 0.0 108.575 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -71.04 145.47 49.92 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 120.312 1.415 . . . . 0.0 107.521 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.5 mt -134.87 139.59 47.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.832 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -77.93 -34.93 51.04 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 120.337 1.426 . . . . 0.0 110.527 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.281 6.3 p 69.96 -142.32 0.08 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 117.658 -1.163 . . . . 0.0 108.268 175.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.14 130.09 40.05 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 116.917 -1.516 . . . . 0.0 108.3 -167.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 49.11 -95.3 0.01 OUTLIER Glycine 0 C--N 1.355 1.638 0 CA-C-N 119.969 1.259 . . . . 0.0 110.204 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.98 41.62 1.01 Allowed Glycine 0 C--N 1.353 1.486 0 N-CA-C 110.339 -1.104 . . . . 0.0 110.339 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -89.18 70.9 8.34 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.1 m -64.97 126.92 29.53 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 118.139 -0.934 . . . . 0.0 112.821 -169.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -124.07 -178.06 3.96 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 105.796 -1.927 . . . . 0.0 105.796 167.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -120.64 151.4 39.51 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 171.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -159.5 157.97 31.03 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 116.947 -1.502 . . . . 0.0 110.973 -169.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.9 m -103.44 102.88 12.81 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -75.02 144.78 11.74 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -137.44 -179.22 5.61 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 171.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -129.46 167.22 18.16 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -157.78 179.43 9.22 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 117.406 -1.283 . . . . 0.0 109.305 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -35.4 95.29 0.01 OUTLIER Glycine 0 C--N 1.355 1.604 0 CA-C-O 118.467 -1.185 . . . . 0.0 115.649 -173.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 53.91 43.61 71.36 Favored Glycine 0 C--N 1.357 1.715 0 CA-C-N 118.897 1.349 . . . . 0.0 110.295 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -164.22 158.24 18.77 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.244 -170.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.3 tp -121.66 152.67 39.08 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 117.684 -1.15 . . . . 0.0 109.923 -172.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 41.0 t -136.6 144.99 31.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-O 116.998 -1.477 . . . . 0.0 109.8 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.9 p -155.88 158.08 3.62 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 120.459 1.481 . . . . 0.0 109.869 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -144.96 124.07 12.86 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 117.879 -1.058 . . . . 0.0 108.233 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.538 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 68.0 m-85 -105.16 160.53 25.69 Favored Pre-proline 0 C--N 1.356 0.863 0 CA-C-O 115.831 -2.033 . . . . 0.0 106.226 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -73.24 69.51 4.01 Favored 'Trans proline' 0 C--N 1.357 0.99 0 CA-C-N 123.651 2.339 . . . . 0.0 110.015 175.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.3 p30 165.01 -72.1 0.0 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.025 -0.988 . . . . 0.0 108.483 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.538 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 3.2 p90 -101.24 172.92 6.71 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.409 ' CE1' HG23 ' A' ' 100' ' ' THR . 1.0 OUTLIER -139.24 156.18 47.26 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 177.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -154.28 152.83 30.75 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 119.616 1.098 . . . . 0.0 109.777 -178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.409 HG23 ' CE1' ' A' ' 98' ' ' HIS . 1.8 p -143.46 106.45 4.51 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.3 m -83.21 163.6 20.67 Favored 'General case' 0 C--N 1.358 0.945 0 CA-C-N 119.876 1.216 . . . . 0.0 108.429 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -159.42 131.19 6.31 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 117.133 -1.413 . . . . 0.0 109.704 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.6 mm -93.18 149.17 4.33 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 CA-C-N 119.99 1.268 . . . . 0.0 107.797 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 39.8 t -138.19 76.95 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.89 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -177.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.76 -85.35 0.76 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 110.286 -1.126 . . . . 0.0 110.286 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -136.03 59.37 1.71 Allowed 'General case' 0 C--N 1.354 0.781 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -170.13 143.22 2.42 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.066 -1.445 . . . . 0.0 107.515 -172.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.0 tp -110.9 137.31 48.7 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 106.449 -1.685 . . . . 0.0 106.449 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.8 m -134.47 160.4 41.51 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 CA-C-N 119.782 1.174 . . . . 0.0 108.349 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -139.42 167.47 22.0 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.74 -1.124 . . . . 0.0 110.823 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.3 t -143.27 101.24 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.882 0 CA-C-O 116.427 -1.749 . . . . 0.0 106.63 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 171.44 10.42 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-N 121.043 1.747 . . . . 0.0 106.759 -179.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.5 m -165.1 149.73 9.05 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 116.028 -1.939 . . . . 0.0 110.591 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.9 tt -161.72 -48.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 120.92 1.691 . . . . 0.0 114.789 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.49 75.79 0.12 Allowed Glycine 0 C--N 1.354 1.557 0 CA-C-N 121.246 1.839 . . . . 0.0 110.424 -176.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.59 26.64 72.66 Favored Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.161 -1.355 . . . . 0.0 110.684 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.8 t -145.4 152.95 14.13 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 83.2 m -151.66 114.74 4.72 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 119' ' ' TYR . 0.5 OUTLIER -102.35 87.27 2.99 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 119.629 1.104 . . . . 0.0 108.065 -175.494 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.5 161.99 18.3 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.107 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -165.88 155.69 12.38 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 115.993 -1.956 . . . . 0.0 109.522 -162.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.1 m -134.58 83.41 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.92 0 CA-C-N 120.921 1.692 . . . . 0.0 111.636 -170.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 7.1 m -69.5 131.93 45.5 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-N 120.575 1.534 . . . . 0.0 107.367 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -90.92 167.29 12.53 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-N 120.639 1.563 . . . . 0.0 107.241 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 69.3 ttt-85 -102.99 79.62 1.78 Allowed 'General case' 0 C--N 1.357 0.9 0 CA-C-N 119.959 1.254 . . . . 0.0 109.366 -169.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.94 -156.94 0.23 Allowed 'General case' 0 C--N 1.352 0.707 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -173.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.633 0 CA-C-N 120.511 1.505 . . . . 0.0 110.028 178.236 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 51.05 61.92 2.99 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 m -155.47 112.06 3.19 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.09 -171.79 38.08 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-O 118.095 -1.392 . . . . 0.0 110.632 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -113.59 145.1 41.8 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -146.16 170.78 16.02 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.392 -1.29 . . . . 0.0 110.023 -176.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.29 147.42 24.71 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 119.844 1.202 . . . . 0.0 110.05 170.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 ttp -50.92 133.7 26.53 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 116.605 -1.664 . . . . 0.0 109.736 -175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -99.73 -57.72 2.08 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-N 120.661 1.573 . . . . 0.0 110.346 176.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.0 m -132.94 -56.94 0.93 Allowed 'General case' 0 C--N 1.358 0.969 0 CA-C-O 117.154 -1.403 . . . . 0.0 114.178 -170.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 87.13 153.14 0.06 Allowed 'General case' 0 C--N 1.355 0.834 0 CA-C-N 119.669 1.122 . . . . 0.0 111.151 -174.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -159.48 138.6 11.1 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 117.096 -1.43 . . . . 0.0 108.444 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 60.99 16.53 7.08 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 119.934 1.243 . . . . 0.0 113.281 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -63.4 -49.15 74.94 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.098 0.863 . . . . 0.0 113.123 178.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -59.33 -63.23 1.38 Allowed 'General case' 0 C--N 1.348 0.532 0 CA-C-N 120.248 1.385 . . . . 0.0 113.083 -168.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.41 -43.16 97.0 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.471 -0.892 . . . . 0.0 110.207 -174.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -43.51 -39.74 3.54 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 119.733 1.152 . . . . 0.0 112.716 176.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.3 mmm -78.94 -35.76 42.79 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-O 118.374 -0.822 . . . . 0.0 108.992 -174.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -62.03 -35.02 77.32 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.776 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.4 mp -75.13 -51.4 13.54 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.938 1.244 . . . . 0.0 108.884 173.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.9 tp -46.36 -40.57 12.16 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.605 -173.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.85 68.47 0.46 Allowed Glycine 0 C--N 1.354 1.556 0 N-CA-C 108.485 -1.846 . . . . 0.0 108.485 175.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.1 mm -130.6 157.31 42.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 CA-C-O 117.877 -1.059 . . . . 0.0 108.66 -174.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -86.64 134.39 33.62 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.835 -1.079 . . . . 0.0 111.719 -175.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.3 t -46.27 -41.38 13.01 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.311 0.959 . . . . 0.0 112.756 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -53.83 -50.58 65.86 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.609 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 m -81.18 -23.13 10.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-O 117.393 -1.289 . . . . 0.0 111.014 -177.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.2 mt -55.82 -47.2 79.88 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 120.91 1.686 . . . . 0.0 107.199 174.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -58.67 -32.76 69.4 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-O 118.168 -0.92 . . . . 0.0 111.214 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -61.16 -67.33 0.42 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.949 1.25 . . . . 0.0 108.69 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.79 -3.18 14.41 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.592 -1.194 . . . . 0.0 112.732 -176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -64.6 -49.88 69.37 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.67 1.577 . . . . 0.0 108.096 169.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -136.8 45.15 2.3 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.96 -174.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -114.72 135.79 53.77 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 171.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -73.39 146.77 44.88 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 176.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -132.83 125.46 52.44 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 N-CA-C 103.949 -2.611 . . . . 0.0 103.949 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -85.4 150.01 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.948 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 m -136.92 124.46 22.21 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -122.02 149.75 43.06 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 106.884 -1.524 . . . . 0.0 106.884 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 t -139.4 143.78 30.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 CA-C-O 117.42 -1.276 . . . . 0.0 108.241 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -139.23 86.98 2.16 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 171.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -61.8 151.43 34.27 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.432 -0.794 . . . . 0.0 108.929 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -147.36 68.21 1.14 Allowed 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -172.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.27 -156.45 52.21 Favored Glycine 0 C--N 1.352 1.423 0 C-N-CA 119.328 -1.415 . . . . 0.0 109.654 -174.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -45.57 -38.21 6.24 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.127 174.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.89 147.87 36.78 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 119.503 1.047 . . . . 0.0 110.674 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.68 164.67 18.64 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -136.47 73.19 1.44 Allowed 'General case' 0 C--N 1.356 0.849 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 -78.45 164.23 24.94 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.553 -171.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.8 m -151.93 154.46 36.13 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.706 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -135.11 89.4 2.52 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -80.28 140.42 36.2 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 117.674 -1.155 . . . . 0.0 109.631 -171.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -93.26 72.03 4.52 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 104.413 -2.44 . . . . 0.0 104.413 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.5 t 67.3 -70.32 0.12 Allowed 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.788 -175.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.07 68.7 0.1 Allowed Glycine 0 C--N 1.355 1.598 0 CA-C-N 120.119 1.327 . . . . 0.0 111.642 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.64 -75.71 0.05 OUTLIER Glycine 0 C--N 1.354 1.538 0 C-N-CA 119.761 -1.209 . . . . 0.0 110.473 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -75.41 79.54 2.47 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 105.261 -2.125 . . . . 0.0 105.261 172.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 m -78.28 101.23 7.05 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 173.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 43.2 ttp -81.99 154.46 25.69 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 105.16 -2.163 . . . . 0.0 105.16 171.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.96 154.3 47.15 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 120.213 1.369 . . . . 0.0 111.218 175.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -128.69 75.08 1.61 Allowed 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -73.5 145.22 45.79 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 175.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -162.71 166.31 24.54 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.411 176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.9 m -125.32 134.24 52.31 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.3 m -88.26 153.13 3.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -169.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.31 22.05 57.92 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-O 117.295 -1.836 . . . . 0.0 110.702 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -140.07 -63.74 0.49 Allowed 'General case' 0 C--N 1.359 1.01 0 CA-C-N 119.76 1.78 . . . . 0.0 109.857 179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.283 8.9 pt-20 113.18 154.04 0.0 OUTLIER 'General case' 0 C--N 1.356 0.883 0 C-N-CA 124.919 1.288 . . . . 0.0 108.054 177.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.1 m -156.9 168.08 28.54 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-O 117.403 -1.284 . . . . 0.0 108.359 175.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -79.66 87.67 5.19 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.1 mt -83.64 142.99 12.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.404 -172.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -99.93 56.46 0.96 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 118.622 0.646 . . . . 0.0 110.831 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 t -49.06 163.37 0.09 Allowed 'General case' 0 C--N 1.352 0.684 0 O-C-N 121.915 -0.491 . . . . 0.0 111.384 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 32.6 mmt -46.51 141.07 3.87 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 118.4 -0.809 . . . . 0.0 108.869 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 150.55 -172.81 30.26 Favored Glycine 0 C--N 1.354 1.533 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -173.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.59 25.79 12.87 Favored Glycine 0 C--N 1.35 1.342 0 CA-C-O 118.022 -1.432 . . . . 0.0 110.639 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -162.67 173.55 13.73 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 119.374 1.587 . . . . 0.0 110.47 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 t -84.84 158.47 20.63 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 170.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -135.12 177.8 7.53 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.382 -1.294 . . . . 0.0 107.517 177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -128.97 142.85 50.79 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 172.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -163.66 144.59 8.95 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 116.97 -1.49 . . . . 0.0 109.924 -169.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 28.7 m -95.59 107.97 20.2 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.398 0.999 . . . . 0.0 109.767 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.2 t -77.99 147.11 7.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -137.1 -177.87 4.95 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.163 -2.162 . . . . 0.0 105.163 172.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -155.62 149.57 25.45 Favored 'General case' 0 CA--C 1.505 -0.768 0 CA-C-O 117.488 -1.244 . . . . 0.0 108.763 -169.155 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.403 ' N ' ' SD ' ' A' ' 85' ' ' MET . 1.2 pp20? -151.54 164.65 36.37 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 119.482 1.037 . . . . 0.0 110.702 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.08 90.46 0.06 OUTLIER Glycine 0 C--N 1.354 1.549 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 -176.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.06 -40.01 1.33 Allowed Glycine 0 C--N 1.355 1.589 0 CA-C-O 118.021 -1.433 . . . . 0.0 111.418 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -159.79 170.41 21.53 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-N 119.417 1.608 . . . . 0.0 112.058 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.9 tp -102.74 152.85 20.75 Favored 'General case' 0 CA--C 1.507 -0.693 0 CA-C-O 117.313 -1.327 . . . . 0.0 107.757 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.4 t -132.42 145.99 33.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 CA-C-O 116.755 -1.593 . . . . 0.0 109.794 -176.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.8 p -155.35 157.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-N 120.97 1.714 . . . . 0.0 110.507 171.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -147.85 144.16 27.94 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 118.217 -0.897 . . . . 0.0 109.273 177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.454 ' CE1' ' CE1' ' A' ' 97' ' ' TYR 0.253 24.8 m-85 -124.64 165.82 23.12 Favored Pre-proline 0 C--N 1.354 0.774 0 CA-C-O 116.097 -1.906 . . . . 0.0 106.393 -174.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -77.46 58.34 6.28 Favored 'Trans proline' 0 C--N 1.357 0.975 0 CA-C-N 123.588 2.317 . . . . 0.0 109.835 169.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -173.58 -74.01 0.01 OUTLIER 'General case' 0 C--N 1.357 0.906 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.454 ' CE1' ' CE1' ' A' ' 94' ' ' PHE . 1.4 p90 -113.43 -178.65 3.43 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.428 ' CE1' HG23 ' A' ' 100' ' ' THR . 0.4 OUTLIER -139.31 157.39 45.98 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -156.98 153.58 28.27 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 119.524 1.056 . . . . 0.0 110.376 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.428 HG23 ' CE1' ' A' ' 98' ' ' HIS . 0.9 OUTLIER -141.25 103.67 4.47 Favored 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.889 -1.522 . . . . 0.0 106.889 -178.395 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.7 m -78.05 163.02 26.27 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 107.454 -1.314 . . . . 0.0 107.454 -177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -160.44 117.21 2.42 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 119.731 1.15 . . . . 0.0 110.058 -171.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.5 mm -89.36 150.52 3.69 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-N 119.346 0.976 . . . . 0.0 108.641 176.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -139.04 75.47 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.78 -82.93 0.82 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -138.39 63.02 1.54 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -172.34 137.57 0.88 Allowed 'General case' 0 C--N 1.351 0.64 0 CA-C-O 116.632 -1.651 . . . . 0.0 106.922 -173.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.1 tp -112.03 134.68 53.43 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.5 m -135.31 160.52 40.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 174.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -140.13 167.33 22.39 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.369 -1.301 . . . . 0.0 109.575 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 62.8 t -139.15 96.69 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.8 m -78.09 170.1 17.17 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 119.155 0.889 . . . . 0.0 109.441 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.6 m -161.58 147.65 13.96 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 116.996 -1.478 . . . . 0.0 110.952 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.8 tt -158.37 74.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-N 119.821 1.191 . . . . 0.0 110.616 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 61.81 22.24 61.89 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 117.346 -1.808 . . . . 0.0 113.469 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.43 -48.89 0.58 Allowed Glycine 0 C--N 1.356 1.67 0 CA-C-N 120.207 2.003 . . . . 0.0 111.63 176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.9 t -89.38 153.61 3.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.751 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -128.47 164.85 21.86 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 107.686 -1.228 . . . . 0.0 107.686 -178.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -139.43 91.33 2.48 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 167.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -89.45 164.41 14.85 Favored 'General case' 0 CA--C 1.505 -0.755 0 CA-C-O 118.514 -0.755 . . . . 0.0 109.922 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -161.64 165.96 27.51 Favored 'General case' 0 CA--C 1.5 -0.955 0 CA-C-O 117.105 -1.426 . . . . 0.0 109.944 -173.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 49.7 t -136.42 82.25 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.654 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -170.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.0 m -79.45 97.98 6.61 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 105.882 -1.896 . . . . 0.0 105.882 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -62.1 170.44 2.21 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.084 -1.436 . . . . 0.0 109.988 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -106.21 84.06 1.98 Allowed 'General case' 0 C--N 1.359 1.016 0 CA-C-N 119.913 1.233 . . . . 0.0 108.932 -172.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.1 -157.44 0.13 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 -175.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.727 0 CA-C-N 120.548 1.522 . . . . 0.0 110.876 175.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 49.24 63.54 2.1 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 118.941 0.791 . . . . 0.0 108.922 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.7 m -159.75 122.49 3.48 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 117.652 -1.166 . . . . 0.0 108.464 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.28 175.56 24.01 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 118.384 -1.231 . . . . 0.0 110.63 177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -92.01 145.98 24.1 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.206 -1.775 . . . . 0.0 106.206 170.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -142.59 165.84 26.3 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 116.766 -1.587 . . . . 0.0 108.873 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -146.24 127.02 14.37 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-O 116.795 -1.574 . . . . 0.0 110.598 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttp -48.1 109.84 0.27 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-O 117.513 -1.232 . . . . 0.0 108.922 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.14 -53.47 5.76 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.144 1.338 . . . . 0.0 108.924 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 p -154.26 172.66 17.28 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.129 -175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -146.33 170.77 16.11 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 118.795 0.725 . . . . 0.0 111.497 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.3 ptpp? -143.01 155.27 44.62 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 165.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 52.65 21.03 1.71 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 119.416 1.007 . . . . 0.0 113.555 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CE2' HG23 ' A' ' 28' ' ' ILE . 53.4 t80 -76.3 -49.77 16.08 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 119.354 0.979 . . . . 0.0 110.767 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -53.25 -56.89 12.9 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 119.428 -0.909 . . . . 0.0 111.359 -173.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -60.9 -52.41 65.15 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.102 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -43.12 -43.05 4.31 Favored 'General case' 0 CA--C 1.504 -0.811 0 CA-C-N 120.058 1.299 . . . . 0.0 111.861 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 36.5 mmm -76.86 -34.79 57.79 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.469 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -35.84 81.65 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 117.815 -1.088 . . . . 0.0 108.491 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.65 -51.8 31.54 Favored 'General case' 0 C--N 1.359 1.014 0 CA-C-N 120.398 1.454 . . . . 0.0 107.918 173.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.6 tp -48.28 -42.63 31.27 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.38 58.96 0.22 Allowed Glycine 0 C--N 1.356 1.647 0 CA-C-O 117.809 -1.551 . . . . 0.0 110.865 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.0 mm -126.53 155.16 36.81 Favored 'Isoleucine or valine' 0 C--N 1.358 0.952 0 CA-C-N 118.762 1.281 . . . . 0.0 108.055 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -72.77 159.92 33.02 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 p -86.04 65.46 9.11 Favored 'General case' 0 C--N 1.358 0.946 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -167.03 -56.38 0.03 OUTLIER 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.87 -45.96 87.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 169.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.524 HG23 ' CE2' ' A' ' 14' ' ' TYR . 87.5 mt -52.39 -57.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -56.03 -36.6 68.17 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 119.83 -0.748 . . . . 0.0 110.132 -171.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -75.6 -64.35 1.09 Allowed 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.04 -38.37 0.32 Allowed 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 118.011 -0.995 . . . . 0.0 113.572 -173.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -77.38 -44.23 30.02 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.195 0.907 . . . . 0.0 111.191 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -74.73 -54.49 7.28 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 35' ' ' LYS . 2.2 t80 -50.05 116.13 1.7 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 173.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' O ' ' CD1' ' A' ' 34' ' ' PHE . 45.4 mmtm -61.49 155.93 20.68 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 175.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.6 mt -133.5 153.81 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.76 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.4 t -104.82 155.6 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 -174.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 18.1 m -146.02 121.71 10.5 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 116.805 -1.569 . . . . 0.0 107.911 176.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -115.43 153.44 31.08 Favored 'General case' 0 CA--C 1.504 -0.793 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -144.21 147.41 19.6 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 CA-C-O 117.974 -1.013 . . . . 0.0 108.662 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -146.72 94.39 2.43 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 167.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -65.46 161.67 19.49 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 119.373 -0.931 . . . . 0.0 108.838 -174.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -148.73 65.73 1.05 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 -172.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.85 -152.25 52.6 Favored Glycine 0 C--N 1.352 1.426 0 N-CA-C 108.344 -1.902 . . . . 0.0 108.344 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -50.36 -37.06 35.14 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-O 117.904 -1.046 . . . . 0.0 109.747 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -76.59 156.11 33.02 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.724 1.147 . . . . 0.0 111.083 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CG ' ' CE1' ' A' ' 63' ' ' PHE . 8.7 m-85 -133.14 166.01 23.44 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.883 0.765 . . . . 0.0 109.554 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.3 p -133.57 68.93 1.48 Allowed 'General case' 0 C--N 1.358 0.942 0 N-CA-C 106.052 -1.832 . . . . 0.0 106.052 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 5.8 t-105 -76.48 159.88 30.0 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 116.935 -1.507 . . . . 0.0 107.825 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 m -154.86 155.15 33.86 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 117.892 -1.051 . . . . 0.0 111.114 168.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -127.33 144.42 51.05 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 115.728 -2.082 . . . . 0.0 106.707 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -135.97 139.54 43.28 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-N 121.462 1.937 . . . . 0.0 108.823 -177.733 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.622 ' CZ ' ' NE2' ' A' ' 57' ' ' HIS . 15.2 p90 -158.86 64.74 0.42 Allowed 'General case' 0 C--N 1.354 0.797 0 C-N-CA 119.076 -1.05 . . . . 0.0 111.692 -175.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.2 t 139.01 147.25 0.0 OUTLIER 'General case' 0 C--N 1.356 0.891 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 174.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -66.09 85.55 0.1 OUTLIER Glycine 0 C--N 1.355 1.627 0 N-CA-C 108.09 -2.004 . . . . 0.0 108.09 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.03 -54.58 0.56 Allowed Glycine 0 C--N 1.354 1.544 0 N-CA-C 109.061 -1.615 . . . . 0.0 109.061 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.622 ' NE2' ' CZ ' ' A' ' 53' ' ' TYR . 56.2 t60 -67.95 134.56 50.98 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.383 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.6 m -150.76 106.19 3.37 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 166.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 27.9 ttp -81.23 155.51 26.08 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 175.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.0 m -141.64 145.82 35.43 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 121.199 1.818 . . . . 0.0 112.451 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -132.86 72.75 1.5 Allowed 'General case' 0 C--N 1.358 0.971 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -66.67 148.19 52.25 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 169.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.419 ' CE1' ' CG ' ' A' ' 47' ' ' PHE . 9.6 p90 -162.22 168.55 22.24 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 119.271 0.942 . . . . 0.0 110.921 178.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.0 m -129.89 128.83 43.0 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -87.44 142.02 13.54 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 -168.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.49 17.78 74.86 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-O 116.728 -2.151 . . . . 0.0 110.129 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -137.47 -70.97 0.44 Allowed 'General case' 0 C--N 1.361 1.08 0 CA-C-N 120.296 2.048 . . . . 0.0 109.367 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.254 15.5 pt-20 129.38 156.73 0.0 OUTLIER 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.487 1.115 . . . . 0.0 109.279 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.0 m -160.48 158.54 29.51 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 117.558 -1.21 . . . . 0.0 109.397 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -69.61 82.31 0.42 Allowed 'General case' 0 C--N 1.357 0.928 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.1 mt -81.16 134.84 26.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 CA-C-O 117.295 -1.336 . . . . 0.0 109.492 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -91.0 151.34 21.09 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 p -131.36 175.16 9.37 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 118.728 0.695 . . . . 0.0 111.956 -166.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 79.8 mmm -97.23 45.14 1.04 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -142.66 -140.02 3.67 Favored Glycine 0 C--N 1.356 1.644 0 CA-C-O 118.332 -1.26 . . . . 0.0 111.492 -169.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.32 -40.84 54.4 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-N 118.898 1.349 . . . . 0.0 111.475 -174.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' O ' ' CE1' ' A' ' 79' ' ' PHE . 7.3 ptpp? -163.3 169.85 18.49 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.74 -1.124 . . . . 0.0 111.671 -172.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.6 t -69.76 165.98 20.25 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 119.622 1.101 . . . . 0.0 109.978 174.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.48 ' CE1' ' O ' ' A' ' 77' ' ' LYS . 6.3 m-85 -151.09 169.39 21.96 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.737 -1.125 . . . . 0.0 109.608 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.2 ttmm -102.76 76.81 1.53 Allowed 'General case' 0 C--N 1.352 0.698 0 N-CA-C 105.923 -1.881 . . . . 0.0 105.923 173.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.413 ' HB2' ' CD2' ' A' ' 94' ' ' PHE . . . -81.23 160.63 24.23 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 117.401 -1.285 . . . . 0.0 109.349 -175.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.4 m -107.94 105.93 15.95 Favored 'General case' 0 C--N 1.356 0.88 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.603 -178.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.2 t -79.66 148.5 5.85 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -142.75 -174.51 4.18 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 36.4 ttm -134.59 154.11 51.64 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 117.052 -1.451 . . . . 0.0 108.428 -177.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -139.9 65.77 1.41 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-N 120.324 1.42 . . . . 0.0 109.887 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.55 -119.46 5.61 Favored Glycine 0 C--N 1.357 1.707 0 CA-C-O 117.405 -1.775 . . . . 0.0 108.761 178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.76 47.35 1.32 Allowed Glycine 0 C--N 1.356 1.679 0 N-CA-C 108.229 -1.949 . . . . 0.0 108.229 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -157.58 153.05 26.26 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.17 -1.395 . . . . 0.0 108.362 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 tp -114.04 156.3 24.37 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.686 -1.15 . . . . 0.0 110.88 -172.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.2 t -133.18 144.46 36.29 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-O 116.529 -1.7 . . . . 0.0 110.233 -176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.45 159.12 3.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 CA-C-N 120.877 1.671 . . . . 0.0 110.248 171.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -148.09 119.88 8.11 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-O 118.06 -0.971 . . . . 0.0 108.902 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' A' ' 81' ' ' ALA . 65.1 m-85 -98.29 162.57 21.52 Favored Pre-proline 0 C--N 1.356 0.865 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -78.69 59.42 7.24 Favored 'Trans proline' 0 C--N 1.357 0.976 0 CA-C-N 123.976 2.456 . . . . 0.0 109.848 173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -172.88 -71.62 0.01 OUTLIER 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.403 ' CZ ' ' CE1' ' A' ' 94' ' ' PHE . 19.2 p90 -110.43 174.7 5.74 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 175.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -133.02 155.6 48.88 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 176.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -153.63 155.82 36.79 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 119.62 1.1 . . . . 0.0 109.113 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.77 105.32 5.1 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.86 164.47 26.6 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 -177.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -163.64 115.8 1.44 Allowed 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.996 1.271 . . . . 0.0 111.373 -173.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.18 149.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 119.542 1.065 . . . . 0.0 108.47 174.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.49 74.26 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.54 -84.9 0.75 Allowed Glycine 0 C--N 1.354 1.534 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -139.41 57.54 1.64 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -170.94 126.46 0.7 Allowed 'General case' 0 C--N 1.351 0.66 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -171.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.9 tp -101.82 137.97 39.41 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 -176.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.4 m -139.3 168.1 19.1 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 N-CA-C 107.462 -1.311 . . . . 0.0 107.462 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -145.45 173.07 12.33 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.761 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.3 p -150.4 103.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.79 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 171.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 t -84.49 171.96 12.09 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 107.354 -1.351 . . . . 0.0 107.354 -176.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.8 m -161.67 143.0 11.19 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-N 120.664 1.575 . . . . 0.0 111.173 -172.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 116' ' ' GLY . 12.4 tt -165.27 139.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.672 0 CA-C-O 116.139 -1.886 . . . . 0.0 109.323 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 45.65 -91.29 0.01 OUTLIER Glycine 0 C--N 1.355 1.621 0 CA-C-N 120.715 1.598 . . . . 0.0 111.254 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 114' ' ' ILE . . . -147.38 43.93 0.82 Allowed Glycine 0 C--N 1.354 1.545 0 CA-C-O 118.799 -1.001 . . . . 0.0 110.824 176.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 57.4 t -141.29 151.59 19.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 107.502 -1.295 . . . . 0.0 107.502 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.9 m -130.61 168.38 17.2 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.787 -1.102 . . . . 0.0 108.239 -173.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 119' ' ' TYR . 0.1 OUTLIER -153.09 110.38 3.51 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.777 -1.583 . . . . 0.0 109.332 173.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -95.62 160.89 14.28 Favored 'General case' 0 C--N 1.358 0.948 0 CA-C-N 120.316 1.416 . . . . 0.0 110.268 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -145.9 166.66 25.34 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 117.045 -1.455 . . . . 0.0 107.761 174.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 39.8 t -136.42 78.24 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 -175.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.2 m -73.87 95.59 2.47 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -59.27 169.09 1.24 Allowed 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.284 -1.341 . . . . 0.0 109.279 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -108.66 87.16 2.43 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 -172.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.16 -156.6 0.39 Allowed 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.184 -1.388 . . . . 0.0 107.845 -171.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.687 0 CA-C-N 120.485 1.493 . . . . 0.0 110.267 -175.539 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 CA-C-O 118.396 -0.811 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 47.29 67.66 0.77 Allowed 'General case' 0 C--N 1.353 0.747 0 O-C-N 123.505 0.503 . . . . 0.0 110.598 177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.0 m -158.26 115.8 2.93 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 117.738 -1.125 . . . . 0.0 108.278 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.81 174.93 26.23 Favored Glycine 0 C--N 1.354 1.538 0 CA-C-O 117.471 -1.738 . . . . 0.0 110.685 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -98.57 144.09 28.26 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.038 1.419 . . . . 0.0 107.65 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -137.9 171.05 15.0 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.881 -1.533 . . . . 0.0 108.65 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -148.33 152.37 36.96 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 120.879 1.672 . . . . 0.0 110.612 168.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -81.66 160.24 23.77 Favored 'General case' 0 CA--C 1.504 -0.802 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.892 -173.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -167.21 -44.42 0.02 OUTLIER 'General case' 0 C--N 1.354 0.792 0 CA-C-O 116.519 -1.705 . . . . 0.0 112.983 -177.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.2 p -116.8 154.73 30.18 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 121.588 1.994 . . . . 0.0 108.024 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -169.48 154.32 5.6 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.703 -1.618 . . . . 0.0 110.261 -166.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.52 167.05 13.91 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 121.088 1.767 . . . . 0.0 112.742 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 62.46 42.94 8.34 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 118.791 0.723 . . . . 0.0 109.82 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.61 ' CD1' ' CE1' ' A' ' 119' ' ' TYR . 27.9 t80 -113.45 -61.48 1.73 Allowed 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -160.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.41 -49.43 34.96 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 119.376 0.989 . . . . 0.0 109.271 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.87 -54.82 40.41 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.067 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -47.31 -35.92 8.61 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 121.567 1.985 . . . . 0.0 112.744 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.4 mmt -87.25 -24.54 24.34 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.105 -175.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 pttt -66.85 -38.56 86.62 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 172.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.86 -51.57 46.71 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.8 tp -58.05 -47.44 83.14 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -171.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.26 68.26 0.51 Allowed Glycine 0 C--N 1.355 1.601 0 CA-C-O 118.01 -1.439 . . . . 0.0 110.101 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 mm -126.42 157.5 36.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 CA-C-N 118.316 1.058 . . . . 0.0 109.155 -176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 37.4 t -71.8 153.94 41.62 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.816 0.735 . . . . 0.0 112.772 -177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.6 m -63.03 -30.27 71.47 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 118.066 -0.968 . . . . 0.0 113.574 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -80.77 -44.08 19.14 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.046 -1.465 . . . . 0.0 107.046 -175.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.3 t -58.48 -40.05 77.21 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.79 -65.9 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.825 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -58.85 -21.51 57.03 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-O 117.854 -1.07 . . . . 0.0 112.394 -173.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -66.54 -64.06 0.94 Allowed 'General case' 0 C--N 1.353 0.741 0 CA-C-N 120.847 1.658 . . . . 0.0 106.968 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . 0.25 . . -65.23 -7.97 15.4 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 116.648 -1.644 . . . . 0.0 112.183 -178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -59.11 -52.75 64.37 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 121.934 2.152 . . . . 0.0 106.954 167.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -135.19 49.54 2.19 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 123.404 0.44 . . . . 0.0 111.768 -172.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -119.14 123.41 44.31 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 173.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.51 78.29 0.79 Allowed 'General case' 0 C--N 1.356 0.861 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.29 144.67 14.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.749 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.9 t -100.28 154.81 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.96 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.9 m -141.23 154.03 45.57 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 107.472 -1.306 . . . . 0.0 107.472 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -152.38 157.58 41.47 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.04 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.3 t -142.81 153.21 17.29 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.746 0 O-C-N 124.049 0.843 . . . . 0.0 110.587 -172.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -143.94 106.94 4.49 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 172.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -74.9 86.52 2.27 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 172.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -80.05 68.87 6.31 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 175.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.01 -162.63 45.92 Favored Glycine 0 C--N 1.353 1.509 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.492 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -43.75 -35.31 1.81 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.806 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -80.64 121.84 26.34 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 117.519 -1.229 . . . . 0.0 109.002 175.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -94.17 161.98 14.05 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 175.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.56 80.9 1.92 Allowed 'General case' 0 C--N 1.354 0.804 0 N-CA-C 103.52 -2.77 . . . . 0.0 103.52 174.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 6.1 t-105 -78.86 162.64 25.92 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.398 -1.287 . . . . 0.0 107.905 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -155.58 157.62 37.08 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 119.913 1.233 . . . . 0.0 111.255 167.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -135.04 111.25 9.63 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 116.691 -1.623 . . . . 0.0 106.702 -176.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -100.41 131.54 46.28 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 120.725 1.602 . . . . 0.0 111.076 -171.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.431 ' CZ ' ' CD2' ' A' ' 57' ' ' HIS . 31.7 p90 -169.74 152.17 4.48 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.53 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.4 m 58.66 59.2 2.99 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.773 1.169 . . . . 0.0 111.703 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 41.9 -97.79 0.01 OUTLIER Glycine 0 C--N 1.355 1.615 0 CA-C-O 118.132 -1.371 . . . . 0.0 114.244 169.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.16 60.67 4.87 Favored Glycine 0 C--N 1.356 1.648 0 CA-C-N 119.333 1.566 . . . . 0.0 111.002 -177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.431 ' CD2' ' CZ ' ' A' ' 53' ' ' TYR . 52.9 t60 -163.74 72.46 0.27 Allowed 'General case' 0 C--N 1.351 0.672 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.9 m -88.15 96.63 10.61 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 103.869 -2.641 . . . . 0.0 103.869 169.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.3 ttp -70.22 153.45 43.08 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 105.815 -1.921 . . . . 0.0 105.815 177.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -136.78 154.27 50.6 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 120.73 1.605 . . . . 0.0 111.917 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -135.46 73.01 1.45 Allowed 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -76.44 156.5 33.04 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 119.44 -0.904 . . . . 0.0 108.706 176.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -168.48 171.65 8.84 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 117.719 -1.134 . . . . 0.0 109.667 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 98.1 m -129.68 129.28 44.05 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.07 146.18 6.96 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -167.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.81 7.9 59.72 Favored Glycine 0 C--N 1.35 1.32 0 CA-C-O 115.897 -2.613 . . . . 0.0 111.838 -174.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -137.81 2.51 2.4 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 121.396 2.598 . . . . 0.0 116.871 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 61.93 138.23 0.01 OUTLIER 'General case' 0 C--N 1.35 0.622 0 CA-C-N 120.846 1.657 . . . . 0.0 114.522 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 m -164.36 163.66 22.37 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 117.265 -1.35 . . . . 0.0 108.247 176.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -73.63 140.84 46.42 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 120.162 1.346 . . . . 0.0 108.4 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.8 mt -137.77 146.5 27.29 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 CA-C-O 117.105 -1.426 . . . . 0.0 108.016 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -111.1 59.09 0.61 Allowed 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.447 1.021 . . . . 0.0 109.981 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.3 t -52.59 170.15 0.07 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.521 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 33.3 mmt -59.83 149.1 32.28 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.46 -178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 141.07 -175.41 22.23 Favored Glycine 0 C--N 1.354 1.581 0 N-CA-C 108.909 -1.676 . . . . 0.0 108.909 -174.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.24 -20.27 59.22 Favored Glycine 0 C--N 1.35 1.309 0 CA-C-O 117.25 -1.861 . . . . 0.0 113.938 -177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.507 ' O ' ' CE2' ' A' ' 79' ' ' PHE . 52.9 mtpt -140.37 174.84 10.12 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 120.099 1.949 . . . . 0.0 111.415 -172.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.2 m -76.98 154.66 33.31 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.507 ' CE2' ' O ' ' A' ' 77' ' ' LYS . 65.0 m-85 -131.19 -174.58 3.43 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.382 -178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -136.15 147.42 47.72 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.138 -0.934 . . . . 0.0 108.751 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.88 162.89 29.44 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.113 -1.423 . . . . 0.0 109.633 -173.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 57.2 m -105.57 99.84 9.43 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-N 119.358 0.981 . . . . 0.0 108.811 -177.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.52 146.0 10.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -140.46 -179.36 5.97 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.8 mtp -135.27 171.85 13.85 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -176.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -156.02 65.22 0.58 Allowed 'General case' 0 C--N 1.352 0.686 0 C-N-CA 119.719 -0.793 . . . . 0.0 111.003 170.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.08 -105.44 3.13 Favored Glycine 0 C--N 1.356 1.667 0 N-CA-C 108.748 -1.741 . . . . 0.0 108.748 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.3 43.23 1.73 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 107.735 -2.146 . . . . 0.0 107.735 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -151.25 151.64 32.12 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.2 tp -122.28 152.46 40.05 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-O 117.885 -1.055 . . . . 0.0 111.985 -165.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 40.0 t -139.36 147.57 24.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.934 0 CA-C-O 116.804 -1.57 . . . . 0.0 110.484 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.3 p -158.28 159.17 2.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 CA-C-N 120.736 1.607 . . . . 0.0 110.422 170.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -148.27 138.91 22.9 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-O 117.745 -1.121 . . . . 0.0 108.853 176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . 0.251 13.4 m-85 -119.04 165.27 17.45 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-O 116.261 -1.828 . . . . 0.0 106.561 -173.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.49 64.57 7.33 Favored 'Trans proline' 0 C--N 1.357 0.978 0 CA-C-N 123.15 2.161 . . . . 0.0 108.192 166.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -178.88 -81.89 0.0 OUTLIER 'General case' 0 C--N 1.357 0.897 0 CA-C-O 117.78 -1.105 . . . . 0.0 108.106 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -112.07 -173.9 2.35 Favored 'General case' 0 C--N 1.357 0.924 0 CA-C-N 119.196 0.907 . . . . 0.0 109.318 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -138.01 159.46 41.95 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -155.09 150.07 26.8 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.45 -0.786 . . . . 0.0 109.761 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -146.95 108.9 4.4 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.8 m -91.89 161.42 14.84 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 120.351 1.432 . . . . 0.0 108.519 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.46 120.95 8.51 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.83 -1.081 . . . . 0.0 109.325 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.8 mm -85.94 148.31 4.83 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 174.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.6 t -137.28 75.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 72.49 -81.29 0.61 Allowed Glycine 0 C--N 1.354 1.538 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -138.59 61.18 1.59 Allowed 'General case' 0 C--N 1.354 0.769 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 -178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -170.28 137.84 1.53 Allowed 'General case' 0 C--N 1.351 0.665 0 CA-C-O 116.902 -1.523 . . . . 0.0 107.358 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.5 tp -112.66 137.13 51.39 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.48 173.52 14.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 CA-C-N 120.22 1.373 . . . . 0.0 108.4 173.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -149.05 154.97 40.06 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 116.923 -1.513 . . . . 0.0 110.846 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 68.9 t -139.47 109.22 3.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.0 p -82.13 174.84 10.83 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.672 -1.156 . . . . 0.0 109.955 -178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.6 m -161.94 155.65 21.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 117.354 -1.307 . . . . 0.0 110.32 169.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 20.0 tt -153.63 -52.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.945 0 CA-C-N 119.931 1.241 . . . . 0.0 113.55 176.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.3 70.87 0.2 Allowed Glycine 0 C--N 1.353 1.527 0 CA-C-N 120.642 1.565 . . . . 0.0 109.704 -177.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 73.57 25.18 73.05 Favored Glycine 0 C--N 1.353 1.514 0 CA-C-O 117.965 -1.464 . . . . 0.0 110.957 -174.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.7 t -147.27 149.21 15.81 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.3 m -137.36 164.72 27.92 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.25 -1.357 . . . . 0.0 107.625 -175.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.61 ' CE1' ' CD1' ' A' ' 14' ' ' TYR . 25.9 t80 -142.32 118.31 10.62 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-O 115.992 -1.956 . . . . 0.0 106.738 169.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -121.96 160.89 23.91 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.761 1.619 . . . . 0.0 110.167 -175.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -163.87 154.57 15.66 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 116.886 -1.53 . . . . 0.0 108.942 -167.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 19.0 t -131.5 90.18 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -166.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.4 m -84.33 104.01 14.0 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.926 -1.035 . . . . 0.0 108.376 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -67.73 167.35 13.46 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 120.454 1.479 . . . . 0.0 111.14 -176.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.9 91.62 3.9 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 -173.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.75 -157.6 0.14 Allowed 'General case' 0 C--N 1.351 0.644 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -173.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.702 0 CA-C-N 120.781 1.628 . . . . 0.0 111.067 -179.76 . . . . . . . . 0 0 . 1 stop_ save_