data_2lic_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 2lic _Structure_validation_residue.Date_analyzed 2016-10-08 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' ' ' LYS . . . . . . . . . . . . . 67.3 mttm . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.893 0.378 . . . . 16.379999999999999 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 tp -167.65 19.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 11.59 110.473 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 47.19 90.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.659 -1.155 . . . . 12.380000000000001 111.372 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -91.83 179.57 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 7.9800000000000004 110.988 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.52 83.68 0.1 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.923 -0.58 . . . . 6.5499999999999998 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.5 mm -128.49 -52.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.051 -0.522 . . . . 6.9800000000000004 110.952 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 8' ' ' LEU . 11.1 tp -145.59 -7.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.866 -0.606 . . . . 7.0899999999999999 110.844 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -90.01 -18.53 25.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.535 . . . . 5.9299999999999997 110.986 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.1 tp 58.71 90.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 6.2699999999999996 110.714 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 65.32 148.57 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.614 . . . . 9.5700000000000003 111.355 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.6 p 48.52 90.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.828 -0.624 . . . . 6.3399999999999999 111.592 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 4.7800000000000002 110.767 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.425 ' HG3' HD11 ' A' ' 3' ' ' LEU . 23.6 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.742 0.306 . . . . 16.379999999999999 111.094 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.425 HD11 ' HG3' ' A' ' 2' ' ' LYS . 6.8 mp -88.12 -176.46 5.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 11.59 110.996 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp 49.27 65.5 1.37 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.901 -0.59 . . . . 12.380000000000001 111.451 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 55.48 -167.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.003 -0.544 . . . . 7.9800000000000004 111.152 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -111.19 110.79 21.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 6.5499999999999998 111.034 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt -99.1 23.33 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 6.9800000000000004 110.596 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 mp -104.12 -16.77 15.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 7.0899999999999999 110.752 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.478 HD21 ' HG ' ' A' ' 10' ' ' LEU . 3.6 p-10 -127.91 -33.32 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.74 -0.664 . . . . 5.9299999999999997 111.171 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.478 ' HG ' HD21 ' A' ' 9' ' ' ASN . 77.9 mt -139.07 113.44 8.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.93 0.395 . . . . 6.2699999999999996 111.136 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -60.94 107.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 9.5700000000000003 110.946 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 p 48.72 90.88 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.965 -0.561 . . . . 6.3399999999999999 111.723 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.959 -0.564 . . . . 4.7800000000000002 110.869 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.412 ' HB2' HD13 ' A' ' 3' ' ' LEU . 94.6 mttt . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.873 0.368 . . . . 16.379999999999999 110.67 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' ' 2' ' ' LYS . 4.0 mp -135.47 129.51 33.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.247 -0.433 . . . . 11.59 110.77 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -100.67 -168.77 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.93 -0.577 . . . . 12.380000000000001 111.029 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 65.36 -81.33 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.958 -0.565 . . . . 7.9800000000000004 111.403 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -140.71 107.53 5.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.934 0.397 . . . . 6.5499999999999998 111.39 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 7' ' ' ILE . 4.0 mp -79.4 -32.99 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 6.9800000000000004 110.411 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -101.13 10.79 40.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.797 -0.638 . . . . 7.0899999999999999 110.034 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 62.56 16.59 8.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.675 -0.693 . . . . 5.9299999999999997 111.168 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.58 96.81 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 6.2699999999999996 110.332 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -53.05 112.38 0.85 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.926 -0.579 . . . . 9.5700000000000003 111.204 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -146.37 9.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 6.3399999999999999 111.003 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 4.7800000000000002 111.041 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.785 0.326 . . . . 16.379999999999999 110.634 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -163.3 127.48 2.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.301 -0.408 . . . . 11.59 110.887 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -94.17 -9.8 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 12.380000000000001 111.223 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -81.63 10.62 5.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.428 -0.351 . . . . 7.9800000000000004 111.084 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -83.36 18.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 6.5499999999999998 110.27 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.515 HG22 ' HG ' ' A' ' 8' ' ' LEU . 34.9 mm -56.59 -66.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.038 -0.528 . . . . 6.9800000000000004 110.837 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' HG ' HG22 ' A' ' 7' ' ' ILE . 77.4 mt -129.51 -54.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 7.0899999999999999 110.3 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -177.82 46.79 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.021 -0.99 . . . . 5.9299999999999997 110.715 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 23.9 tp 62.53 15.8 8.19 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.078 0.466 . . . . 6.2699999999999996 110.721 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -58.48 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 9.5700000000000003 110.993 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 t -169.59 120.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 6.3399999999999999 111.255 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 4.7800000000000002 110.991 179.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.836 0.35 . . . . 16.379999999999999 110.673 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.42 ' N ' HD11 ' A' ' 3' ' ' LEU . 4.0 mp -128.63 124.49 35.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.147 -0.479 . . . . 11.59 110.823 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -100.77 5.56 43.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.025 -0.534 . . . . 12.380000000000001 110.971 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -88.56 99.94 12.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 7.9800000000000004 110.833 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.628 ' HB2' HD21 ' A' ' 9' ' ' ASN . 8.8 m-20 -138.98 -170.78 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.95 -0.568 . . . . 6.5499999999999998 110.422 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mt -120.9 25.57 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.348 . . . . 6.9800000000000004 111.243 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -143.77 -12.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.939 0.4 . . . . 7.0899999999999999 111.096 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.628 HD21 ' HB2' ' A' ' 6' ' ' ASP . 5.3 p30 -84.75 -35.34 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 5.9299999999999997 110.674 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -169.39 135.7 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 6.2699999999999996 110.615 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -68.84 124.0 22.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 9.5700000000000003 110.868 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p 48.96 91.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.996 -0.547 . . . . 6.3399999999999999 111.492 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 4.7800000000000002 111.1 -179.734 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 pttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.777 0.323 . . . . 16.379999999999999 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.1 mt -116.16 130.6 56.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 11.59 111.073 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -112.15 172.01 7.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.579 . . . . 12.380000000000001 110.948 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 57.99 99.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.995 -0.548 . . . . 7.9800000000000004 110.858 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.05 -174.69 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 6.5499999999999998 110.86 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mm -85.0 -11.39 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 6.9800000000000004 110.712 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.6 mt -126.2 -10.58 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.562 . . . . 7.0899999999999999 110.527 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -102.81 -8.17 21.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.864 -0.607 . . . . 5.9299999999999997 110.565 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 tp -159.54 144.93 15.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.604 . . . . 6.2699999999999996 110.073 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -46.4 -85.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 9.5700000000000003 111.572 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.9 m -157.43 103.04 1.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 6.3399999999999999 111.139 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.267 -0.424 . . . . 4.7800000000000002 110.899 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.3 tttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.964 0.411 . . . . 16.379999999999999 110.834 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.4 tp -147.82 130.22 15.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 11.59 110.575 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.51 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 2.2 mppt? -106.98 -63.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 12.380000000000001 110.8 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.514 ' HB2' ' HG2' ' A' ' 11' ' ' ARG . 12.7 pt20 -72.85 142.2 47.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 7.9800000000000004 110.765 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -160.43 161.22 32.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 6.5499999999999998 110.465 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.3 mm -77.62 -5.72 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.06 -0.518 . . . . 6.9800000000000004 111.011 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -120.33 -9.31 9.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 7.0899999999999999 110.817 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -116.07 -7.74 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 5.9299999999999997 110.531 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.442 HD13 ' H ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 66.14 129.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.852 -0.613 . . . . 6.2699999999999996 110.751 -179.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.514 ' HG2' ' HB2' ' A' ' 5' ' ' GLN . 95.9 mtt180 -53.05 -18.93 2.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 9.5700000000000003 111.687 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.442 ' H ' HD13 ' A' ' 10' ' ' LEU . 45.8 p -132.3 99.86 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 6.3399999999999999 111.239 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 4.7800000000000002 110.582 179.757 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.821 0.343 . . . . 16.379999999999999 111.046 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.1 tp -170.22 134.77 1.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.116 -0.493 . . . . 11.59 110.793 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -98.63 123.89 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 12.380000000000001 110.471 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -143.13 -42.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 7.9800000000000004 111.249 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -117.16 101.18 8.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.392 -0.367 . . . . 6.5499999999999998 110.807 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.9 mm -132.48 -48.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 6.9800000000000004 111.126 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.409 ' HA ' HD11 ' A' ' 8' ' ' LEU . 17.5 tp -149.48 -13.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.011 -0.54 . . . . 7.0899999999999999 110.718 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -79.52 -40.16 30.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 5.9299999999999997 110.68 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 29.0 tp 61.18 16.15 6.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 6.2699999999999996 110.77 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -97.49 -95.87 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 9.5700000000000003 111.197 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 m -153.06 -81.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 6.3399999999999999 111.155 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 4.7800000000000002 110.856 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.79 0.329 . . . . 16.379999999999999 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.5 tp 64.97 140.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.941 -0.572 . . . . 11.59 111.153 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -107.36 164.45 12.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 12.380000000000001 111.127 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.407 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 11.0 pt20 -75.78 165.1 25.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 7.9800000000000004 110.895 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.457 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 4.2 p-10 -152.65 -159.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 6.5499999999999998 110.652 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 7' ' ' ILE . 9.4 mt -80.39 29.34 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.987 0.422 . . . . 6.9800000000000004 110.913 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 6' ' ' ASP . 72.0 mt -137.45 -5.96 1.78 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.309 -0.405 . . . . 7.0899999999999999 111.105 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.609 HD21 ' N ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -166.75 35.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 5.9299999999999997 111.086 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -69.86 6.56 1.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 6.2699999999999996 111.187 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 9' ' ' ASN . 99.2 mtt180 -64.25 -80.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 9.5700000000000003 111.097 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.0 p -128.98 7.18 5.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.921 -0.582 . . . . 6.3399999999999999 110.917 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HB2' ' HB3' ' A' ' 5' ' ' GLN . 17.1 t70 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.101 -0.499 . . . . 4.7800000000000002 111.098 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.796 0.331 . . . . 16.379999999999999 110.729 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.99 32.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.07 0.462 . . . . 11.59 111.04 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.6 -169.37 2.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.79 -0.641 . . . . 12.380000000000001 110.934 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 60.75 -85.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.51 . . . . 7.9800000000000004 111.127 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.06 80.56 8.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 6.5499999999999998 110.805 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tt -144.89 -41.96 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.172 -0.467 . . . . 6.9800000000000004 110.882 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.17 -15.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 7.0899999999999999 110.298 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -103.1 25.26 9.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.649 -0.705 . . . . 5.9299999999999997 111.019 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -72.5 4.61 3.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.228 0.537 . . . . 6.2699999999999996 110.944 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -98.08 -17.64 18.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.895 -0.593 . . . . 9.5700000000000003 110.629 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.9 m -88.19 -46.91 8.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 6.3399999999999999 111.078 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 4.7800000000000002 110.621 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 87.8 tttt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.773 0.32 . . . . 16.379999999999999 110.632 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 mt 54.98 25.68 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.117 0.484 . . . . 11.59 111.232 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 48.98 95.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.126 -0.943 . . . . 12.380000000000001 111.618 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 2' ' ' LYS . 45.9 mt-30 -115.26 122.03 44.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.239 -0.437 . . . . 7.9800000000000004 110.927 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -136.09 103.41 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 6.5499999999999998 110.635 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.534 HG22 ' HG ' ' A' ' 8' ' ' LEU . 14.0 tt -100.22 -32.68 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.524 . . . . 6.9800000000000004 111.184 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.534 ' HG ' HG22 ' A' ' 7' ' ' ILE . 1.4 pp -129.48 -14.16 4.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.993 -0.549 . . . . 7.0899999999999999 110.83 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -85.44 -24.93 27.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.706 -0.679 . . . . 5.9299999999999997 110.286 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.569 ' HG ' ' H ' ' A' ' 11' ' ' ARG . 11.3 tp -166.69 -150.64 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.841 -0.618 . . . . 6.2699999999999996 109.967 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.569 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 98.8 mtt180 -89.56 169.2 11.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.781 0.324 . . . . 9.5700000000000003 110.845 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 p -97.15 89.64 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 6.3399999999999999 111.169 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 4.7800000000000002 110.923 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.642 0.258 . . . . 16.379999999999999 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp 64.58 136.24 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.978 -0.555 . . . . 11.59 111.085 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -95.38 177.77 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 12.380000000000001 111.204 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -84.49 -44.13 13.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 7.9800000000000004 110.77 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.68 107.33 0.02 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.147 -0.479 . . . . 6.5499999999999998 111.43 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 mt -81.56 22.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.087 0.47 . . . . 6.9800000000000004 110.724 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.55 7.61 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 7.0899999999999999 110.487 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.541 HD21 HD23 ' A' ' 10' ' ' LEU . 2.2 p-10 -163.21 -41.71 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.091 -0.504 . . . . 5.9299999999999997 111.305 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.541 HD23 HD21 ' A' ' 9' ' ' ASN . 2.7 mm? -126.27 112.03 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 6.2699999999999996 111.351 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -68.07 -172.27 0.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 9.5700000000000003 110.96 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 p -73.43 83.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 6.3399999999999999 110.99 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.822 -0.627 . . . . 4.7800000000000002 110.828 179.93 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.577 ' HZ2' ' HB2' ' A' ' 2' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.772 0.32 . . . . 16.379999999999999 111.104 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp 66.64 136.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.831 -0.622 . . . . 11.59 111.212 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 1.2 mppt? -110.65 124.05 51.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 12.380000000000001 110.872 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -83.55 136.46 34.25 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.154 -0.475 . . . . 7.9800000000000004 111.061 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -151.98 141.41 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 6.5499999999999998 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.3 mt -85.84 21.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.14 -0.482 . . . . 6.9800000000000004 110.862 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.2 mm? -113.95 13.39 18.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.013 -0.54 . . . . 7.0899999999999999 110.351 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.533 HD21 ' HG ' ' A' ' 10' ' ' LEU . 3.4 p-10 -165.84 -39.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 5.9299999999999997 110.753 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.533 ' HG ' HD21 ' A' ' 9' ' ' ASN . 93.0 mt -136.31 97.2 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 6.2699999999999996 110.957 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -71.79 94.65 1.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 9.5700000000000003 110.651 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 p -117.44 -45.57 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 6.3399999999999999 111.045 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 4.7800000000000002 110.7 179.608 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.735 0.302 . . . . 16.379999999999999 110.957 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.95 30.58 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.961 0.41 . . . . 11.59 111.116 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -75.88 -49.85 16.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.859 -0.609 . . . . 12.380000000000001 110.661 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -142.65 -163.87 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 7.9800000000000004 110.605 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t70 62.87 8.81 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 6.5499999999999998 111.086 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mt -69.9 -50.47 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.056 0.455 . . . . 6.9800000000000004 110.701 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.5 mt -134.88 26.97 3.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.589 -0.732 . . . . 7.0899999999999999 110.089 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.96 20.92 11.93 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.696 -0.684 . . . . 5.9299999999999997 110.266 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.03 105.48 12.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 6.2699999999999996 110.603 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.85 117.41 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 9.5700000000000003 110.736 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.0 m -97.67 -46.62 5.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 6.3399999999999999 111.277 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 4.7800000000000002 111.131 -179.799 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.743 0.306 . . . . 16.379999999999999 110.678 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 3' ' ' LEU . 2.5 pt? -154.05 142.63 20.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.898 0.38 . . . . 11.59 111.149 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -107.63 -19.42 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.935 -0.575 . . . . 12.380000000000001 110.972 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -83.02 84.09 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 7.9800000000000004 111.175 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -175.56 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.232 0.539 . . . . 6.5499999999999998 111.096 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.1 mm -110.03 2.51 9.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.413 -0.812 . . . . 6.9800000000000004 110.329 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.71 -16.64 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.728 -0.669 . . . . 7.0899999999999999 110.478 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 6.2 t30 -67.59 -22.19 65.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.557 -0.747 . . . . 5.9299999999999997 110.554 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.01 12.48 34.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.811 -0.632 . . . . 6.2699999999999996 110.508 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -128.89 -17.54 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 9.5700000000000003 110.952 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.585 ' HG1' ' H ' ' A' ' 13' ' ' ASP . 37.0 p -141.18 -65.52 0.43 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 6.3399999999999999 111.665 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.585 ' H ' ' HG1' ' A' ' 12' ' ' THR . 20.0 t70 . . . . . 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 4.7800000000000002 110.849 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.615 ' HZ3' ' HB3' ' A' ' 2' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.014 0.435 . . . . 16.379999999999999 111.13 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.18 136.62 52.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.926 -0.579 . . . . 11.59 110.99 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -116.1 -59.87 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.127 -0.488 . . . . 12.380000000000001 110.552 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -104.47 126.56 51.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.027 -0.533 . . . . 7.9800000000000004 110.784 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 7' ' ' ILE . 8.8 t70 -163.35 -174.58 3.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 6.5499999999999998 110.682 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.565 HD13 ' H ' ' A' ' 7' ' ' ILE . 4.4 mp -79.9 -11.65 12.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.039 0.447 . . . . 6.9800000000000004 110.802 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.1 tp -88.26 -26.58 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.157 0.504 . . . . 7.0899999999999999 110.601 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -105.31 -18.04 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.495 -0.775 . . . . 5.9299999999999997 110.008 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.6 tp 56.3 92.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.542 -0.754 . . . . 6.2699999999999996 111.259 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 47.39 37.95 6.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 9.5700000000000003 111.532 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m 65.39 121.73 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.149 -0.478 . . . . 6.3399999999999999 111.473 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 4.7800000000000002 110.748 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.724 0.297 . . . . 16.379999999999999 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.22 29.4 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 11.59 111.136 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -85.68 135.05 33.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.7 -0.682 . . . . 12.380000000000001 110.745 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 59.14 175.64 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.459 . . . . 7.9800000000000004 110.956 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 3.3 t70 -169.98 -160.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 6.5499999999999998 110.577 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.9 tt -120.22 -20.24 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 121.077 0.465 . . . . 6.9800000000000004 111.043 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 tp -123.33 -9.88 8.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.785 -0.643 . . . . 7.0899999999999999 111.409 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -138.53 17.18 2.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.408 -0.36 . . . . 5.9299999999999997 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HB3' ' O ' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -51.8 93.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.065 0.46 . . . . 6.2699999999999996 111.134 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.24 -12.8 61.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.913 -0.585 . . . . 9.5700000000000003 110.893 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.5 m 61.08 104.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.229 -0.441 . . . . 6.3399999999999999 111.124 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 4.7800000000000002 111.231 -179.723 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.5 mttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.652 0.263 . . . . 16.379999999999999 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.1 tp -147.71 21.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 11.59 110.822 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.512 ' HA ' HD22 ' A' ' 9' ' ' ASN . 75.3 mmtt -94.92 6.86 47.85 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.861 -1.063 . . . . 12.380000000000001 110.655 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -112.85 19.15 17.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.947 -0.569 . . . . 7.9800000000000004 110.714 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.453 ' CG ' ' H ' ' A' ' 7' ' ' ILE . 8.1 t70 -71.79 -159.67 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 6.5499999999999998 110.613 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.453 ' H ' ' CG ' ' A' ' 6' ' ' ASP . 8.5 mt -131.51 8.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.022 0.439 . . . . 6.9800000000000004 111.035 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -114.03 -11.85 12.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 7.0899999999999999 111.028 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.512 HD22 ' HA ' ' A' ' 4' ' ' LYS . 29.1 p-10 -116.28 -28.66 6.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.984 -0.553 . . . . 5.9299999999999997 110.816 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.3 tp -166.74 133.19 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 6.2699999999999996 110.543 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -62.1 176.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 9.5700000000000003 111.121 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.1 m -91.71 90.52 7.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 6.3399999999999999 110.912 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 p30 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.979 -0.555 . . . . 4.7800000000000002 110.938 179.862 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.661 ' HB2' ' HZ3' ' A' ' 2' ' ' LYS . 10.1 mtmp? . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.911 0.386 . . . . 16.379999999999999 111.185 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -161.25 133.04 5.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.02 -0.536 . . . . 11.59 110.557 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -91.42 176.18 6.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.169 -0.469 . . . . 12.380000000000001 111.322 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -73.88 163.56 27.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.53 . . . . 7.9800000000000004 111.551 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -145.7 -173.03 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.951 -0.568 . . . . 6.5499999999999998 110.362 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt -94.02 23.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.347 . . . . 6.9800000000000004 111.044 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -137.26 -7.1 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 7.0899999999999999 111.138 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -138.12 19.46 2.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 5.9299999999999997 111.246 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.43 10.92 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 6.2699999999999996 111.158 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -82.61 -13.18 56.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 9.5700000000000003 111.142 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 t -118.34 -36.31 3.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.32 -0.4 . . . . 6.3399999999999999 111.258 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 4.7800000000000002 110.836 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.845 0.355 . . . . 16.379999999999999 111.117 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.2 tp -163.8 132.62 3.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 11.59 110.767 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 1.7 mptp? -105.02 -55.9 2.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.319 -0.401 . . . . 12.380000000000001 111.103 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -128.35 -167.9 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 7.9800000000000004 111.278 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.491 ' HB3' ' HB2' ' A' ' 9' ' ' ASN . 23.8 m-20 -112.68 111.43 22.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 6.5499999999999998 110.68 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 tt -63.77 -29.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 6.9800000000000004 111.552 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 8' ' ' LEU . 15.9 tp -157.56 -13.99 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.22 -0.446 . . . . 7.0899999999999999 110.734 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.491 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 6.4 m-80 -59.41 -34.6 72.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.826 -0.624 . . . . 5.9299999999999997 110.146 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.8 tp -178.3 99.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.74 -0.664 . . . . 6.2699999999999996 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -75.86 116.33 16.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 9.5700000000000003 110.855 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -143.22 -42.56 0.3 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.318 -0.401 . . . . 6.3399999999999999 111.387 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 4.7800000000000002 111.145 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.902 0.382 . . . . 17.010000000000002 110.84 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -85.55 119.29 25.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 16.379999999999999 110.901 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 tp -167.65 19.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 11.59 110.473 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 47.19 90.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.659 -1.155 . . . . 12.380000000000001 111.372 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -91.83 179.57 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 7.9800000000000004 110.988 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.52 83.68 0.1 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.923 -0.58 . . . . 6.5499999999999998 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.5 mm -128.49 -52.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.051 -0.522 . . . . 6.9800000000000004 110.952 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 8' ' ' LEU . 11.1 tp -145.59 -7.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.866 -0.606 . . . . 7.0899999999999999 110.844 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -90.01 -18.53 25.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.535 . . . . 5.9299999999999997 110.986 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.1 tp 58.71 90.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 6.2699999999999996 110.714 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 65.32 148.57 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.614 . . . . 9.5700000000000003 111.355 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.6 p 48.52 90.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.828 -0.624 . . . . 6.3399999999999999 111.592 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -85.54 102.8 13.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 4.7800000000000002 110.767 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt 58.15 94.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.117 -0.492 . . . . 6.0800000000000001 111.158 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.8 p -118.39 134.51 54.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 4.9000000000000004 110.865 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.3 p -67.4 -27.19 66.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 5.3099999999999996 111.076 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.0 p -59.11 115.15 2.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 5.4800000000000004 110.828 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 m -141.31 27.21 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 5.2999999999999998 111.206 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.4 m -98.8 140.49 32.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 5.0800000000000001 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 24' ' ' SER . 8.4 tp -152.19 143.47 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.519 . . . . 6.0800000000000001 110.832 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 t -163.1 112.37 1.32 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.46 -0.337 . . . . 5.1799999999999997 111.279 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m 57.84 15.27 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.034 -0.53 . . . . 5.1399999999999997 111.594 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.452 ' HA ' HD12 ' A' ' 21' ' ' ILE . 32.3 t 54.9 30.83 14.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.476 -0.329 . . . . 5.6100000000000003 111.026 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 60.89 -178.02 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 7.0899999999999999 110.943 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.0 -0.8 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 7.5700000000000003 110.986 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.59 ' HB3' HE21 ' A' ' 31' ' ' GLN . 88.5 m-20 -107.17 95.27 5.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 8.2599999999999998 110.992 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -162.13 24.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 8.9199999999999999 111.024 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -175.93 77.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.007 -0.368 . . . . 12.94 110.007 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.471 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 98.7 m95 67.11 132.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.632 -0.713 . . . . 16.039999999999999 110.587 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.59 HE21 ' HB3' ' A' ' 27' ' ' ASN . 82.5 mt-30 -114.58 79.86 5.84 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.213 -0.903 . . . . 15.44 110.502 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 30' ' ' TRP . 9.1 Cg_exo -71.19 112.26 3.28 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.651 2.234 . . . . 13.529999999999999 112.517 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -96.69 154.49 38.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 16.329999999999998 110.534 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.5 101.31 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.328 2.018 . . . . 17.710000000000001 112.017 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.9 m . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.322 -0.847 . . . . 18.27 111.05 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.825 0.345 . . . . 17.010000000000002 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.425 ' HG3' HD11 ' A' ' 3' ' ' LEU . 23.6 pttm -81.03 -9.68 59.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 16.379999999999999 111.094 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.425 HD11 ' HG3' ' A' ' 2' ' ' LYS . 6.8 mp -88.12 -176.46 5.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 11.59 110.996 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp 49.27 65.5 1.37 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.901 -0.59 . . . . 12.380000000000001 111.451 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 55.48 -167.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.003 -0.544 . . . . 7.9800000000000004 111.152 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -111.19 110.79 21.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 6.5499999999999998 111.034 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt -99.1 23.33 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 6.9800000000000004 110.596 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.0 mp -104.12 -16.77 15.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 7.0899999999999999 110.752 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.478 HD21 ' HG ' ' A' ' 10' ' ' LEU . 3.6 p-10 -127.91 -33.32 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.74 -0.664 . . . . 5.9299999999999997 111.171 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.478 ' HG ' HD21 ' A' ' 9' ' ' ASN . 77.9 mt -139.07 113.44 8.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.93 0.395 . . . . 6.2699999999999996 111.136 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -60.94 107.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 9.5700000000000003 110.946 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 p 48.72 90.88 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.965 -0.561 . . . . 6.3399999999999999 111.723 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -122.45 107.76 12.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.959 -0.564 . . . . 4.7800000000000002 110.869 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -93.31 -28.49 4.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 6.0800000000000001 110.862 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.6 t 59.52 89.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.976 -0.556 . . . . 4.9000000000000004 111.145 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.2 p -145.06 -52.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 5.3099999999999996 110.895 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 m 60.18 172.46 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.029 -0.532 . . . . 5.4800000000000004 111.447 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -154.83 -51.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 5.2999999999999998 111.203 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.6 t 62.02 175.91 0.13 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.176 -0.465 . . . . 5.0800000000000001 110.873 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.8 mt 61.9 108.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.179 -0.464 . . . . 6.0800000000000001 111.144 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.1 p 51.22 -164.44 0.05 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.102 -0.499 . . . . 5.1799999999999997 111.071 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -144.16 13.76 1.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 5.1399999999999997 110.821 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -72.07 141.05 49.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 5.6100000000000003 110.851 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.622 ' HG3' ' H ' ' A' ' 27' ' ' ASN . 9.4 tp10 -111.87 136.49 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 7.0899999999999999 110.702 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.87 -9.28 43.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 7.5700000000000003 111.203 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.622 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 26.6 t-20 -105.94 103.34 12.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.098 -0.501 . . . . 8.2599999999999998 110.834 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -156.93 25.94 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 8.9199999999999999 111.015 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -127.48 -19.02 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 12.94 111.16 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -95.94 -100.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 16.039999999999999 111.457 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -142.61 70.57 20.53 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-O 120.594 0.235 . . . . 15.44 110.991 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.82 -24.66 34.0 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.64 2.227 . . . . 13.529999999999999 112.374 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 13.1 mptt -89.63 144.59 32.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.337 -0.392 . . . . 16.329999999999998 110.966 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 19.0 Cg_exo -66.59 -0.87 4.91 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.742 2.295 . . . . 17.710000000000001 112.6 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.209 -0.901 . . . . 18.27 110.999 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.849 0.357 . . . . 17.010000000000002 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.412 ' HB2' HD13 ' A' ' 3' ' ' LEU . 94.6 mttt -121.82 -12.65 8.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 16.379999999999999 110.67 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' ' 2' ' ' LYS . 4.0 mp -135.47 129.51 33.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.247 -0.433 . . . . 11.59 110.77 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -100.67 -168.77 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.93 -0.577 . . . . 12.380000000000001 111.029 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 65.36 -81.33 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.958 -0.565 . . . . 7.9800000000000004 111.403 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -140.71 107.53 5.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.934 0.397 . . . . 6.5499999999999998 111.39 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 7' ' ' ILE . 4.0 mp -79.4 -32.99 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 6.9800000000000004 110.411 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -101.13 10.79 40.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.797 -0.638 . . . . 7.0899999999999999 110.034 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 62.56 16.59 8.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.675 -0.693 . . . . 5.9299999999999997 111.168 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.58 96.81 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 6.2699999999999996 110.332 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -53.05 112.38 0.85 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.926 -0.579 . . . . 9.5700000000000003 111.204 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -146.37 9.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 6.3399999999999999 111.003 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.81 -2.34 35.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 4.7800000000000002 111.041 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.9 tt -125.53 139.91 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 6.0800000000000001 111.184 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.1 m -148.0 -6.03 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 4.9000000000000004 110.815 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.0 m -105.49 105.84 16.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 5.3099999999999996 111.037 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.0 t -139.01 159.62 41.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 5.4800000000000004 110.806 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 76.8 p -62.79 167.55 4.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 5.2999999999999998 110.885 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.7 t -80.67 -2.01 44.86 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.028 -0.533 . . . . 5.0800000000000001 111.067 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.35 109.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 6.0800000000000001 111.114 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -112.19 -13.04 13.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 5.1799999999999997 110.807 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -80.98 169.35 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 5.1399999999999997 111.087 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.4 p -125.73 154.42 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 5.6100000000000003 110.758 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.91 112.69 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.395 -0.366 . . . . 7.0899999999999999 110.783 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -81.38 135.56 35.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 7.5700000000000003 111.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -96.51 178.25 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 8.2599999999999998 110.957 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -174.33 113.52 0.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 8.9199999999999999 111.15 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.18 -47.65 1.0 Allowed 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.61 0.719 . . . . 12.94 109.476 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.424 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 99.0 m95 -150.29 135.65 18.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.677 -1.147 . . . . 16.039999999999999 110.081 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -115.75 82.47 10.44 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.442 -0.799 . . . . 15.44 110.439 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.607 ' HB2' ' HD3' ' A' ' 33' ' ' LYS . 9.5 Cg_exo -70.84 -57.74 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.606 2.204 . . . . 13.529999999999999 112.106 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.607 ' HD3' ' HB2' ' A' ' 32' ' ' PRO . 4.2 mppt? -102.29 155.36 36.59 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.258 -0.428 . . . . 16.329999999999998 110.462 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.4 117.15 3.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.451 2.101 . . . . 17.710000000000001 112.108 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.282 -0.866 . . . . 18.27 111.297 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.825 0.345 . . . . 17.010000000000002 110.756 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -77.24 142.9 39.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 16.379999999999999 110.634 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -163.3 127.48 2.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.301 -0.408 . . . . 11.59 110.887 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -94.17 -9.8 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 12.380000000000001 111.223 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -81.63 10.62 5.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.428 -0.351 . . . . 7.9800000000000004 111.084 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -83.36 18.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 6.5499999999999998 110.27 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.515 HG22 ' HG ' ' A' ' 8' ' ' LEU . 34.9 mm -56.59 -66.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.038 -0.528 . . . . 6.9800000000000004 110.837 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' HG ' HG22 ' A' ' 7' ' ' ILE . 77.4 mt -129.51 -54.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 7.0899999999999999 110.3 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -177.82 46.79 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.021 -0.99 . . . . 5.9299999999999997 110.715 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 23.9 tp 62.53 15.8 8.19 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.078 0.466 . . . . 6.2699999999999996 110.721 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -58.48 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 9.5700000000000003 110.993 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 t -169.59 120.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 6.3399999999999999 111.255 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -101.88 97.52 7.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 4.7800000000000002 110.991 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.1 mt 61.06 -83.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 6.0800000000000001 111.484 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 t 64.52 153.39 0.05 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.225 -0.443 . . . . 4.9000000000000004 111.212 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.2 p -131.93 112.42 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.984 -0.553 . . . . 5.3099999999999996 110.997 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -92.38 -20.44 21.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 5.4800000000000004 110.856 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.9 t -149.11 164.68 33.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 5.2999999999999998 110.838 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -62.88 103.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 5.0800000000000001 110.922 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.8 tp -103.85 140.01 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.504 . . . . 6.0800000000000001 111.127 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.8 t -78.07 117.4 19.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 5.1799999999999997 110.936 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.9 p -90.77 113.98 26.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 5.1399999999999997 110.803 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -95.16 176.89 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 5.6100000000000003 110.886 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -101.88 10.69 39.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 7.0899999999999999 110.714 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -101.72 -11.84 18.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 7.5700000000000003 110.831 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -114.6 -6.95 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 8.2599999999999998 110.874 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -167.96 117.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 8.9199999999999999 111.012 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -163.72 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 12.94 110.827 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -96.5 -74.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.921 -0.581 . . . . 16.039999999999999 111.047 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 54.16 69.62 2.08 Favored Pre-proline 0 N--CA 1.455 -0.222 0 CA-C-N 116.093 -0.503 . . . . 15.44 110.884 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.93 -70.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.544 2.163 . . . . 13.529999999999999 112.07 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -118.13 148.82 44.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 16.329999999999998 110.603 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.73 103.29 0.16 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.317 2.011 . . . . 17.710000000000001 112.031 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.423 -0.798 . . . . 18.27 111.069 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.871 0.367 . . . . 17.010000000000002 110.931 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -138.76 -11.17 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 16.379999999999999 110.673 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.42 ' N ' HD11 ' A' ' 3' ' ' LEU . 4.0 mp -128.63 124.49 35.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.147 -0.479 . . . . 11.59 110.823 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -100.77 5.56 43.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.025 -0.534 . . . . 12.380000000000001 110.971 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -88.56 99.94 12.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 7.9800000000000004 110.833 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.628 ' HB2' HD21 ' A' ' 9' ' ' ASN . 8.8 m-20 -138.98 -170.78 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.95 -0.568 . . . . 6.5499999999999998 110.422 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mt -120.9 25.57 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.348 . . . . 6.9800000000000004 111.243 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -143.77 -12.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.939 0.4 . . . . 7.0899999999999999 111.096 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.628 HD21 ' HB2' ' A' ' 6' ' ' ASP . 5.3 p30 -84.75 -35.34 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 5.9299999999999997 110.674 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -169.39 135.7 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 6.2699999999999996 110.615 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -68.84 124.0 22.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 9.5700000000000003 110.868 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p 48.96 91.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.996 -0.547 . . . . 6.3399999999999999 111.492 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -93.92 107.97 19.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 4.7800000000000002 111.1 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 tp -148.43 132.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 6.0800000000000001 110.78 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.9 p -115.39 138.98 50.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.341 -0.39 . . . . 4.9000000000000004 111.283 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.2 p -110.62 18.13 20.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 5.3099999999999996 110.86 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p 51.55 28.17 4.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.902 -0.59 . . . . 5.4800000000000004 111.206 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.2 p -160.71 -31.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 5.2999999999999998 111.033 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -70.66 105.0 3.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.445 . . . . 5.0800000000000001 110.946 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.4 mt 57.1 98.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.08 -0.509 . . . . 6.0800000000000001 111.276 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.0 p -119.97 178.55 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 5.1799999999999997 110.708 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.2 p -140.95 135.58 31.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 5.1399999999999997 110.758 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 t -92.5 -32.0 15.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.39 -0.368 . . . . 5.6100000000000003 110.797 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -157.77 3.55 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 7.0899999999999999 111.146 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -69.26 138.87 54.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.443 -0.344 . . . . 7.5700000000000003 110.693 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -96.74 89.17 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 8.2599999999999998 111.068 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -174.46 113.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.991 -0.55 . . . . 8.9199999999999999 110.645 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -132.64 -38.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.002 0.43 . . . . 12.94 110.607 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -92.1 -91.36 0.16 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.474 -0.784 . . . . 16.039999999999999 111.196 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -164.66 53.55 0.33 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 15.44 110.785 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.67 132.05 10.68 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.282 1.988 . . . . 13.529999999999999 112.458 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -145.3 155.25 54.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.039 -0.528 . . . . 16.329999999999998 110.762 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.74 121.59 9.77 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.413 2.075 . . . . 17.710000000000001 112.064 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.204 -0.903 . . . . 18.27 111.081 -179.773 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.728 0.299 . . . . 17.010000000000002 110.952 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -114.7 13.64 17.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 16.379999999999999 111.219 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.1 mt -116.16 130.6 56.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 11.59 111.073 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -112.15 172.01 7.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.579 . . . . 12.380000000000001 110.948 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 57.99 99.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.995 -0.548 . . . . 7.9800000000000004 110.858 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.05 -174.69 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 6.5499999999999998 110.86 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mm -85.0 -11.39 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 6.9800000000000004 110.712 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.6 mt -126.2 -10.58 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.562 . . . . 7.0899999999999999 110.527 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -102.81 -8.17 21.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.864 -0.607 . . . . 5.9299999999999997 110.565 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 tp -159.54 144.93 15.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.604 . . . . 6.2699999999999996 110.073 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -46.4 -85.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 9.5700000000000003 111.572 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.9 m -157.43 103.04 1.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 6.3399999999999999 111.139 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -153.16 121.17 6.12 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.267 -0.424 . . . . 4.7800000000000002 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tp -164.85 134.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 6.0800000000000001 110.99 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 t 56.47 18.27 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 4.9000000000000004 111.333 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -105.75 -37.42 6.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 5.3099999999999996 111.243 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -128.88 158.76 37.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.349 -0.387 . . . . 5.4800000000000004 111.187 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 m -108.7 -63.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 5.2999999999999998 110.72 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.5 t -156.21 101.29 2.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 5.0800000000000001 110.587 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 21' ' ' ILE . 4.5 mp -114.86 133.45 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 6.0800000000000001 110.926 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.2 p -156.99 123.32 4.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 5.1799999999999997 110.979 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.5 m -102.45 109.22 20.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 5.1399999999999997 110.943 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.1 p -89.65 7.31 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 5.6100000000000003 110.934 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.85 -64.63 0.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 7.0899999999999999 110.927 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -63.83 147.08 52.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 7.5700000000000003 111.01 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -154.75 156.17 35.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.127 -0.488 . . . . 8.2599999999999998 110.782 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -138.84 106.37 5.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 8.9199999999999999 110.751 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -171.91 -28.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 12.94 110.996 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -139.17 137.4 36.03 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.266 0.555 . . . . 16.039999999999999 110.568 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -118.07 82.07 17.19 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.206 -0.906 . . . . 15.44 110.347 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.17 157.72 53.42 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.77 2.313 . . . . 13.529999999999999 112.328 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -85.85 154.36 58.31 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 16.329999999999998 110.573 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.32 105.25 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.332 2.021 . . . . 17.710000000000001 112.218 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.485 -0.769 . . . . 18.27 111.395 -179.854 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.792 0.33 . . . . 17.010000000000002 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -154.66 -17.55 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 16.379999999999999 110.834 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.4 tp -147.82 130.22 15.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 11.59 110.575 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.51 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 2.2 mppt? -106.98 -63.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 12.380000000000001 110.8 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.514 ' HB2' ' HG2' ' A' ' 11' ' ' ARG . 12.7 pt20 -72.85 142.2 47.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 7.9800000000000004 110.765 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -160.43 161.22 32.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 6.5499999999999998 110.465 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.3 mm -77.62 -5.72 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.06 -0.518 . . . . 6.9800000000000004 111.011 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -120.33 -9.31 9.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 7.0899999999999999 110.817 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -116.07 -7.74 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 5.9299999999999997 110.531 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.442 HD13 ' H ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 66.14 129.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.852 -0.613 . . . . 6.2699999999999996 110.751 -179.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.514 ' HG2' ' HB2' ' A' ' 5' ' ' GLN . 95.9 mtt180 -53.05 -18.93 2.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 9.5700000000000003 111.687 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.442 ' H ' HD13 ' A' ' 10' ' ' LEU . 45.8 p -132.3 99.86 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 6.3399999999999999 111.239 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -126.94 3.02 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 4.7800000000000002 110.582 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.2 tt -71.45 113.08 7.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.038 -0.528 . . . . 6.0800000000000001 111.229 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.0 p -168.35 104.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 4.9000000000000004 110.802 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.9 p 50.4 23.2 1.18 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.991 -0.55 . . . . 5.3099999999999996 111.57 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.0 t -78.87 -62.23 1.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.303 -0.408 . . . . 5.4800000000000004 110.92 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -103.72 104.35 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 5.2999999999999998 111.009 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.4 m -108.74 179.94 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 5.0800000000000001 110.864 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.6 tt -144.38 144.08 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 6.0800000000000001 110.975 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.447 ' HG ' ' H ' ' A' ' 23' ' ' SER . 34.2 t 60.76 179.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 5.1799999999999997 111.014 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.447 ' H ' ' HG ' ' A' ' 22' ' ' SER . 80.7 p -160.88 165.21 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 5.1399999999999997 110.845 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -72.2 166.81 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 5.6100000000000003 110.838 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.1 157.79 44.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.997 0.427 . . . . 7.0899999999999999 111.248 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -134.55 5.61 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.923 -0.58 . . . . 7.5700000000000003 110.711 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -69.56 -167.89 0.15 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 8.2599999999999998 110.917 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.484 ' HB3' ' HG3' ' A' ' 32' ' ' PRO . 6.6 m-20 61.75 103.72 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.117 -0.492 . . . . 8.9199999999999999 111.087 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -122.01 -19.41 6.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.559 . . . . 12.94 110.563 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -62.8 -87.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.794 -0.639 . . . . 16.039999999999999 111.129 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -137.23 67.65 54.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 15.44 110.338 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.484 ' HG3' ' HB3' ' A' ' 28' ' ' ASP . 16.9 Cg_exo -67.51 0.74 3.74 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.844 2.362 . . . . 13.529999999999999 112.567 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -65.95 157.04 82.06 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.206 -0.452 . . . . 16.329999999999998 110.815 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.57 6.48 1.93 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.607 2.205 . . . . 17.710000000000001 112.387 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.086 -0.959 . . . . 18.27 111.375 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.78 0.324 . . . . 17.010000000000002 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -82.58 137.97 34.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 16.379999999999999 111.046 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.1 tp -170.22 134.77 1.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.116 -0.493 . . . . 11.59 110.793 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -98.63 123.89 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 12.380000000000001 110.471 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -143.13 -42.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 7.9800000000000004 111.249 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -117.16 101.18 8.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.392 -0.367 . . . . 6.5499999999999998 110.807 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.9 mm -132.48 -48.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 6.9800000000000004 111.126 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' HA ' HD11 ' A' ' 8' ' ' LEU . 17.5 tp -149.48 -13.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.011 -0.54 . . . . 7.0899999999999999 110.718 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -79.52 -40.16 30.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 5.9299999999999997 110.68 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 29.0 tp 61.18 16.15 6.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 6.2699999999999996 110.77 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -97.49 -95.87 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 9.5700000000000003 111.197 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 m -153.06 -81.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 6.3399999999999999 111.155 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -169.53 85.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 4.7800000000000002 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 tp -169.6 -41.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 6.0800000000000001 111.444 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.5 m 55.89 95.06 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.962 0.41 . . . . 4.9000000000000004 110.801 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.473 HG22 ' H ' ' A' ' 18' ' ' SEP . 91.2 m -123.35 115.63 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 5.3099999999999996 111.405 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 m -98.3 18.41 16.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 5.4800000000000004 110.592 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . 0.473 ' H ' HG22 ' A' ' 16' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 t -67.25 -53.41 30.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 5.2999999999999998 111.028 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.4 m -143.5 125.44 15.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 5.0800000000000001 111.077 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 21' ' ' ILE . 10.7 tp -129.12 11.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.271 0.558 . . . . 6.0800000000000001 110.512 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.9 m -85.39 155.09 21.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.871 -0.604 . . . . 5.1799999999999997 111.109 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' HG ' ' H ' ' A' ' 24' ' ' SER . 45.9 t -119.53 164.67 15.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.101 -0.5 . . . . 5.1399999999999997 110.733 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.419 ' H ' ' HG ' ' A' ' 23' ' ' SER . 42.9 t -166.73 0.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 5.6100000000000003 110.956 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -85.11 -73.67 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 7.0899999999999999 111.049 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.72 104.79 9.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 7.5700000000000003 110.755 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -121.28 147.66 45.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 8.2599999999999998 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -143.65 119.16 10.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 8.9199999999999999 110.938 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -174.48 -30.47 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.045 -0.525 . . . . 12.94 111.178 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -106.83 -96.27 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 16.039999999999999 111.503 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -143.24 70.02 18.0 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.533 -0.303 . . . . 15.44 110.835 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -70.48 140.52 40.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.678 2.252 . . . . 13.529999999999999 112.174 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -142.47 158.83 59.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.934 -0.576 . . . . 16.329999999999998 110.415 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 33' ' ' LYS . 19.2 Cg_endo -58.41 -10.45 8.76 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.373 2.049 . . . . 17.710000000000001 112.529 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.241 -0.885 . . . . 18.27 111.09 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.724 0.297 . . . . 17.010000000000002 110.786 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 tttp 58.7 97.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.078 -0.51 . . . . 16.379999999999999 111.031 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.5 tp 64.97 140.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.941 -0.572 . . . . 11.59 111.153 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -107.36 164.45 12.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 12.380000000000001 111.127 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 11.0 pt20 -75.78 165.1 25.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 7.9800000000000004 110.895 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.457 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 4.2 p-10 -152.65 -159.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 6.5499999999999998 110.652 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 7' ' ' ILE . 9.4 mt -80.39 29.34 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.987 0.422 . . . . 6.9800000000000004 110.913 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 6' ' ' ASP . 72.0 mt -137.45 -5.96 1.78 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.309 -0.405 . . . . 7.0899999999999999 111.105 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.609 HD21 ' N ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -166.75 35.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 5.9299999999999997 111.086 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -69.86 6.56 1.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 6.2699999999999996 111.187 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 9' ' ' ASN . 99.2 mtt180 -64.25 -80.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 9.5700000000000003 111.097 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.0 p -128.98 7.18 5.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.921 -0.582 . . . . 6.3399999999999999 110.917 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HB2' ' HB3' ' A' ' 5' ' ' GLN . 17.1 t70 55.55 86.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.101 -0.499 . . . . 4.7800000000000002 111.098 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.511 HG22 HG22 ' A' ' 16' ' ' THR . 50.9 mt -77.15 -60.25 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 6.0800000000000001 110.748 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.8 m 58.89 99.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.855 -0.612 . . . . 4.9000000000000004 111.25 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.511 HG22 HG22 ' A' ' 14' ' ' ILE . 61.3 p -128.99 113.32 15.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.498 . . . . 5.3099999999999996 111.097 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.2 m -113.96 -45.28 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 5.4800000000000004 110.71 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -76.08 140.43 41.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.277 -0.42 . . . . 5.2999999999999998 110.944 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -74.65 -0.94 19.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 5.0800000000000001 111.015 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.14 130.71 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.353 -0.385 . . . . 6.0800000000000001 111.113 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.7 m -76.67 -58.67 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 5.1799999999999997 110.683 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -97.47 112.38 24.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 5.1399999999999997 110.812 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.0 p -140.58 116.5 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 5.6100000000000003 111.034 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 57.98 92.55 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.496 . . . . 7.0899999999999999 111.051 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -89.19 -9.81 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 7.5700000000000003 110.617 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -109.5 137.89 46.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.731 -0.668 . . . . 8.2599999999999998 110.992 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -130.8 18.81 5.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 8.9199999999999999 110.785 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -125.45 -16.89 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 12.94 110.932 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -85.01 -96.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.396 -0.366 . . . . 16.039999999999999 111.296 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -144.74 67.99 14.26 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.542 -0.299 . . . . 15.44 110.998 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.49 -33.98 44.58 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.589 2.193 . . . . 13.529999999999999 112.018 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -149.04 150.22 31.73 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 16.329999999999998 110.872 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.37 0.38 4.07 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.693 2.262 . . . . 17.710000000000001 112.57 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.166 -0.921 . . . . 18.27 111.416 179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.858 0.361 . . . . 17.010000000000002 110.937 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -130.96 -3.55 4.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.525 . . . . 16.379999999999999 110.729 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.99 32.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.07 0.462 . . . . 11.59 111.04 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.6 -169.37 2.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.79 -0.641 . . . . 12.380000000000001 110.934 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 60.75 -85.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.51 . . . . 7.9800000000000004 111.127 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.06 80.56 8.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 6.5499999999999998 110.805 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tt -144.89 -41.96 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.172 -0.467 . . . . 6.9800000000000004 110.882 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.17 -15.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 7.0899999999999999 110.298 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -103.1 25.26 9.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.649 -0.705 . . . . 5.9299999999999997 111.019 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -72.5 4.61 3.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.228 0.537 . . . . 6.2699999999999996 110.944 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -98.08 -17.64 18.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.895 -0.593 . . . . 9.5700000000000003 110.629 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.9 m -88.19 -46.91 8.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 6.3399999999999999 111.078 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.42 99.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 4.7800000000000002 110.621 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 tp -70.02 115.18 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.18 0.514 . . . . 6.0800000000000001 111.31 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.9 t -147.4 167.53 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.838 -0.619 . . . . 4.9000000000000004 110.717 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.5 m -63.93 92.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 5.3099999999999996 111.193 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.2 t -124.57 3.27 8.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 5.4800000000000004 110.953 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.7 m 61.91 173.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 5.2999999999999998 111.102 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.2 p -154.39 -28.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 5.0800000000000001 110.943 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.5 pt -69.35 156.51 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.406 . . . . 6.0800000000000001 111.051 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.5 p -120.94 178.39 4.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 5.1799999999999997 110.848 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.5 m -135.4 -7.41 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 5.1399999999999997 110.901 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.5 m -100.89 114.13 27.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 5.6100000000000003 110.967 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -156.98 -65.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 7.0899999999999999 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -129.75 164.66 23.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.187 -0.46 . . . . 7.5700000000000003 110.897 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -97.48 12.05 34.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.412 -0.358 . . . . 8.2599999999999998 111.055 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 62.29 99.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 8.9199999999999999 110.908 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -116.45 -20.13 9.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 12.94 110.647 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -75.08 -72.97 0.27 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.996 -0.547 . . . . 16.039999999999999 111.383 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 56.97 69.15 1.78 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 15.44 111.146 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -77.26 -28.88 5.36 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.945 2.43 . . . . 13.529999999999999 112.065 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -90.52 156.4 45.43 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.505 . . . . 16.329999999999998 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.34 107.2 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.332 2.021 . . . . 17.710000000000001 112.086 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.246 -0.883 . . . . 18.27 111.092 -179.702 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.806 0.336 . . . . 17.010000000000002 110.954 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 87.8 tttt -148.68 -48.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 16.379999999999999 110.632 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 mt 54.98 25.68 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.117 0.484 . . . . 11.59 111.232 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 48.98 95.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.126 -0.943 . . . . 12.380000000000001 111.618 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 2' ' ' LYS . 45.9 mt-30 -115.26 122.03 44.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.239 -0.437 . . . . 7.9800000000000004 110.927 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -136.09 103.41 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 6.5499999999999998 110.635 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.534 HG22 ' HG ' ' A' ' 8' ' ' LEU . 14.0 tt -100.22 -32.68 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.524 . . . . 6.9800000000000004 111.184 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.534 ' HG ' HG22 ' A' ' 7' ' ' ILE . 1.4 pp -129.48 -14.16 4.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.993 -0.549 . . . . 7.0899999999999999 110.83 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -85.44 -24.93 27.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.706 -0.679 . . . . 5.9299999999999997 110.286 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.569 ' HG ' ' H ' ' A' ' 11' ' ' ARG . 11.3 tp -166.69 -150.64 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.841 -0.618 . . . . 6.2699999999999996 109.967 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.569 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 98.8 mtt180 -89.56 169.2 11.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.781 0.324 . . . . 9.5700000000000003 110.845 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 p -97.15 89.64 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 6.3399999999999999 111.169 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.67 101.15 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 4.7800000000000002 110.923 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.1 tt -83.16 -28.68 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 6.0800000000000001 110.918 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.1 p -67.03 139.58 57.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 4.9000000000000004 110.725 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.9 m -129.51 -42.48 1.31 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.301 -0.408 . . . . 5.3099999999999996 111.083 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.9 m -92.67 175.2 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 5.4800000000000004 111.057 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.9 t -58.41 153.22 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 5.2999999999999998 110.905 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -152.74 -16.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 5.0800000000000001 110.943 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.8 mm 57.85 95.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.024 -0.534 . . . . 6.0800000000000001 111.105 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.8 p -156.01 -4.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 5.1799999999999997 110.776 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.7 p -98.15 -179.82 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 5.1399999999999997 110.926 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.6 p -139.29 -172.44 3.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 5.6100000000000003 110.908 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -91.5 -75.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 7.0899999999999999 110.958 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -129.4 151.51 49.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 7.5700000000000003 110.866 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -131.44 144.0 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 8.2599999999999998 111.085 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -149.08 107.0 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 8.9199999999999999 110.748 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.9 t80 60.16 89.71 0.07 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.987 -0.551 . . . . 12.94 110.54 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -149.33 -75.3 0.16 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.1 -0.5 . . . . 16.039999999999999 111.085 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.502 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 48.8 mt-30 -138.87 58.93 14.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.071 -0.513 . . . . 15.44 111.227 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 17.2 Cg_exo -66.31 -168.1 0.14 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.37 2.047 . . . . 13.529999999999999 111.991 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -135.24 149.43 69.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 16.329999999999998 111.036 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.8 8.73 2.58 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.469 2.112 . . . . 17.710000000000001 112.224 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.143 -0.932 . . . . 18.27 111.48 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.713 0.292 . . . . 17.010000000000002 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -168.84 143.44 3.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 16.379999999999999 110.89 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp 64.58 136.24 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.978 -0.555 . . . . 11.59 111.085 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -95.38 177.77 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 12.380000000000001 111.204 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -84.49 -44.13 13.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 7.9800000000000004 110.77 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.68 107.33 0.02 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.147 -0.479 . . . . 6.5499999999999998 111.43 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.4 mt -81.56 22.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.087 0.47 . . . . 6.9800000000000004 110.724 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.55 7.61 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 7.0899999999999999 110.487 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.541 HD21 HD23 ' A' ' 10' ' ' LEU . 2.2 p-10 -163.21 -41.71 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.091 -0.504 . . . . 5.9299999999999997 111.305 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.541 HD23 HD21 ' A' ' 9' ' ' ASN . 2.7 mm? -126.27 112.03 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 6.2699999999999996 111.351 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -68.07 -172.27 0.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 9.5700000000000003 110.96 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 p -73.43 83.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 6.3399999999999999 110.99 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -132.69 117.73 18.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.822 -0.627 . . . . 4.7800000000000002 110.828 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.457 HG21 ' HG ' ' A' ' 15' ' ' SER . 9.2 tp -93.06 -31.3 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 6.0800000000000001 111.139 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.457 ' HG ' HG21 ' A' ' 14' ' ' ILE . 79.8 p -162.14 174.01 13.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 4.9000000000000004 110.769 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.8 p -69.66 -12.71 61.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 5.3099999999999996 111.044 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.0 t -116.04 130.01 56.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 5.4800000000000004 111.04 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.8 m 61.13 12.12 3.88 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.077 -0.511 . . . . 5.2999999999999998 111.341 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 m 55.16 88.82 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.115 -0.493 . . . . 5.0800000000000001 111.155 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.1 tp -115.74 143.3 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 6.0800000000000001 110.857 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 t 60.94 12.52 3.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 5.1799999999999997 111.007 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -119.29 -21.85 7.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 5.1399999999999997 110.706 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -128.98 -20.79 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 5.6100000000000003 111.068 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 60.76 100.64 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.989 -0.55 . . . . 7.0899999999999999 110.984 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -120.01 -4.67 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 7.5700000000000003 110.959 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -91.94 41.59 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 8.2599999999999998 110.943 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.531 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 15.8 t70 -151.95 92.19 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 8.9199999999999999 110.709 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -99.39 -39.98 8.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.072 0.463 . . . . 12.94 110.672 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -125.96 -93.48 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.608 -0.724 . . . . 16.039999999999999 111.271 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -141.74 65.84 20.99 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.473 -0.331 . . . . 15.44 110.962 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' A' ' 28' ' ' ASP . 20.1 Cg_exo -65.88 -31.07 48.3 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.56 2.173 . . . . 13.529999999999999 112.212 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -93.86 156.34 39.45 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 16.329999999999998 110.718 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.97 -9.71 10.6 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.432 2.088 . . . . 17.710000000000001 112.454 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.144 -0.931 . . . . 18.27 111.448 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.708 0.289 . . . . 17.010000000000002 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.577 ' HZ2' ' HB2' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -81.23 136.87 35.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 16.379999999999999 111.104 -179.715 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp 66.64 136.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.831 -0.622 . . . . 11.59 111.212 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 1.2 mppt? -110.65 124.05 51.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 12.380000000000001 110.872 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -83.55 136.46 34.25 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.154 -0.475 . . . . 7.9800000000000004 111.061 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -151.98 141.41 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 6.5499999999999998 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.3 mt -85.84 21.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.14 -0.482 . . . . 6.9800000000000004 110.862 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.405 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.2 mm? -113.95 13.39 18.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.013 -0.54 . . . . 7.0899999999999999 110.351 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.533 HD21 ' HG ' ' A' ' 10' ' ' LEU . 3.4 p-10 -165.84 -39.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 5.9299999999999997 110.753 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.533 ' HG ' HD21 ' A' ' 9' ' ' ASN . 93.0 mt -136.31 97.2 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 6.2699999999999996 110.957 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -71.79 94.65 1.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 9.5700000000000003 110.651 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 p -117.44 -45.57 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 6.3399999999999999 111.045 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.36 100.63 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 4.7800000000000002 110.7 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.1 pt -90.51 121.37 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 6.0800000000000001 111.369 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.0 m -89.66 127.58 35.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.838 -0.619 . . . . 4.9000000000000004 110.788 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.7 p -95.06 101.68 13.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 5.3099999999999996 110.8 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.7 m 56.58 82.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.519 . . . . 5.4800000000000004 110.867 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 m -124.23 142.45 51.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 5.2999999999999998 110.975 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 t -65.99 115.81 6.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 5.0800000000000001 110.777 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.6 tt -112.24 145.32 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 6.0800000000000001 110.933 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.2 m 61.96 103.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 5.1799999999999997 111.063 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.7 t -143.42 132.99 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 5.1399999999999997 110.828 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.0 p -94.58 -167.25 1.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 5.6100000000000003 110.85 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -121.14 -37.52 2.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 7.0899999999999999 111.084 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.88 -12.37 60.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.007 0.432 . . . . 7.5700000000000003 110.891 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -144.57 109.1 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 8.2599999999999998 111.046 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.494 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 5.5 p-10 -165.02 122.09 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 8.9199999999999999 111.105 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -171.09 -32.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.126 -0.488 . . . . 12.94 110.689 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -133.45 -90.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.799 -0.637 . . . . 16.039999999999999 110.665 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -143.45 65.94 15.28 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 15.44 110.584 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HG2' ' HA ' ' A' ' 28' ' ' ASP . 22.5 Cg_exo -64.42 145.62 88.28 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.583 2.188 . . . . 13.529999999999999 112.237 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -88.26 152.37 50.11 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 16.329999999999998 110.678 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.34 13.57 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.281 1.987 . . . . 17.710000000000001 112.421 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.987 -1.006 . . . . 18.27 111.919 -179.745 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.762 0.315 . . . . 17.010000000000002 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -126.08 -1.72 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 16.379999999999999 110.957 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.95 30.58 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.961 0.41 . . . . 11.59 111.116 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -75.88 -49.85 16.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.859 -0.609 . . . . 12.380000000000001 110.661 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -142.65 -163.87 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 7.9800000000000004 110.605 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t70 62.87 8.81 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 6.5499999999999998 111.086 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mt -69.9 -50.47 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.056 0.455 . . . . 6.9800000000000004 110.701 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.5 mt -134.88 26.97 3.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.589 -0.732 . . . . 7.0899999999999999 110.089 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.96 20.92 11.93 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.696 -0.684 . . . . 5.9299999999999997 110.266 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.03 105.48 12.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 6.2699999999999996 110.603 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.85 117.41 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 9.5700000000000003 110.736 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.0 m -97.67 -46.62 5.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 6.3399999999999999 111.277 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.62 105.37 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 4.7800000000000002 111.131 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.7 mt -134.54 100.14 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 6.0800000000000001 110.888 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -117.93 7.89 12.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 4.9000000000000004 110.78 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.7 p 48.26 88.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 5.3099999999999996 111.599 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -129.24 131.67 47.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 5.4800000000000004 110.939 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.6 p -165.57 2.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 5.2999999999999998 110.879 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.7 p -80.56 167.47 20.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 5.0800000000000001 110.949 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.7 tt -145.71 140.62 21.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 6.0800000000000001 110.801 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.1 m 56.72 -167.11 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.307 -0.406 . . . . 5.1799999999999997 110.985 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -148.23 1.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 5.1399999999999997 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m 58.7 -171.5 0.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.092 -0.504 . . . . 5.6100000000000003 110.902 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 61.01 -83.29 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.026 -0.533 . . . . 7.0899999999999999 111.159 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -97.01 141.16 30.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.342 -0.39 . . . . 7.5700000000000003 110.805 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -82.95 131.53 35.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 8.2599999999999998 110.901 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -171.86 115.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 8.9199999999999999 110.793 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -152.31 -35.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.38 . . . . 12.94 111.268 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -101.85 -97.12 0.28 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 16.039999999999999 111.211 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.425 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 53.6 mt-30 -147.18 62.59 7.39 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 116.565 -0.289 . . . . 15.44 111.087 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 26.4 Cg_exo -62.6 -28.35 77.07 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.333 2.022 . . . . 13.529999999999999 111.836 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 5.6 mtpm? -106.49 158.59 32.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.814 -0.63 . . . . 16.329999999999998 110.476 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 33' ' ' LYS . 19.1 Cg_endo -60.75 -9.98 13.06 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.248 1.965 . . . . 17.710000000000001 112.155 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.278 -0.868 . . . . 18.27 110.885 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.817 0.341 . . . . 17.010000000000002 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -145.78 177.91 8.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 16.379999999999999 110.678 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 3' ' ' LEU . 2.5 pt? -154.05 142.63 20.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.898 0.38 . . . . 11.59 111.149 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -107.63 -19.42 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.935 -0.575 . . . . 12.380000000000001 110.972 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -83.02 84.09 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 7.9800000000000004 111.175 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -175.56 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.232 0.539 . . . . 6.5499999999999998 111.096 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.1 mm -110.03 2.51 9.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.413 -0.812 . . . . 6.9800000000000004 110.329 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.71 -16.64 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.728 -0.669 . . . . 7.0899999999999999 110.478 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 6.2 t30 -67.59 -22.19 65.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.557 -0.747 . . . . 5.9299999999999997 110.554 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -98.01 12.48 34.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.811 -0.632 . . . . 6.2699999999999996 110.508 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -128.89 -17.54 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 9.5700000000000003 110.952 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.585 ' HG1' ' H ' ' A' ' 13' ' ' ASP . 37.0 p -141.18 -65.52 0.43 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 6.3399999999999999 111.665 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.585 ' H ' ' HG1' ' A' ' 12' ' ' THR . 20.0 t70 57.84 93.55 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 4.7800000000000002 110.849 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 tp -113.2 -36.14 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 6.0800000000000001 111.06 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.0 m 58.04 101.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.184 -0.462 . . . . 4.9000000000000004 111.184 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.5 t -59.54 -43.12 93.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 5.3099999999999996 111.312 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m 54.89 94.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.18 -0.464 . . . . 5.4800000000000004 111.151 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.458 ' HG ' HG23 ' A' ' 21' ' ' ILE . 71.2 p -144.99 -16.48 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 5.2999999999999998 110.898 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.8 t 57.54 32.01 21.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 5.0800000000000001 111.249 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.458 HG23 ' HG ' ' A' ' 19' ' ' SER . 15.1 tt -81.27 131.66 33.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.422 -0.354 . . . . 6.0800000000000001 111.221 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.2 t 58.84 104.68 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.902 -0.59 . . . . 5.1799999999999997 111.301 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -123.33 -3.13 8.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 5.1399999999999997 110.942 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -82.79 121.84 27.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 5.6100000000000003 110.914 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -85.57 -44.32 12.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 7.0899999999999999 111.025 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.96 135.38 52.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 7.5700000000000003 110.934 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 m120 60.32 100.56 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.012 -0.54 . . . . 8.2599999999999998 111.127 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -146.93 22.13 1.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 8.9199999999999999 110.849 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -163.26 -32.47 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.165 -0.471 . . . . 12.94 111.075 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -142.82 136.8 29.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.3 0.572 . . . . 16.039999999999999 110.672 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -120.35 81.25 30.08 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.196 -0.911 . . . . 15.44 110.826 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -72.93 115.25 4.28 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.676 2.25 . . . . 13.529999999999999 112.061 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -104.22 155.72 36.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 16.329999999999998 110.551 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -57.22 111.3 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.399 2.066 . . . . 17.710000000000001 112.305 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.0 p . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.234 -0.889 . . . . 18.27 111.335 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.763 0.316 . . . . 17.010000000000002 110.807 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.615 ' HZ3' ' HB3' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -140.8 -179.3 5.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 16.379999999999999 111.13 -179.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.18 136.62 52.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.926 -0.579 . . . . 11.59 110.99 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -116.1 -59.87 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.127 -0.488 . . . . 12.380000000000001 110.552 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -104.47 126.56 51.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.027 -0.533 . . . . 7.9800000000000004 110.784 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' ' 7' ' ' ILE . 8.8 t70 -163.35 -174.58 3.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 6.5499999999999998 110.682 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.565 HD13 ' H ' ' A' ' 7' ' ' ILE . 4.4 mp -79.9 -11.65 12.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.039 0.447 . . . . 6.9800000000000004 110.802 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.1 tp -88.26 -26.58 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.157 0.504 . . . . 7.0899999999999999 110.601 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -105.31 -18.04 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.495 -0.775 . . . . 5.9299999999999997 110.008 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.6 tp 56.3 92.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.542 -0.754 . . . . 6.2699999999999996 111.259 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 47.39 37.95 6.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 9.5700000000000003 111.532 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m 65.39 121.73 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.149 -0.478 . . . . 6.3399999999999999 111.473 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -81.4 110.04 16.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 4.7800000000000002 110.748 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -56.54 113.24 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.914 -0.585 . . . . 6.0800000000000001 111.153 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -88.08 155.33 19.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 4.9000000000000004 110.68 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 t -110.55 -22.08 11.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 5.3099999999999996 111.264 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.455 ' HG ' ' H ' ' A' ' 18' ' ' SEP . 33.2 t 61.18 175.07 0.11 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.159 -0.473 . . . . 5.4800000000000004 111.129 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . 0.455 ' H ' ' HG ' ' A' ' 17' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -66.01 133.84 51.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.329 -0.396 . . . . 5.2999999999999998 110.968 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -149.15 -0.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 5.0800000000000001 111.038 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.5 mm 62.81 106.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.167 -0.469 . . . . 6.0800000000000001 111.278 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.2 t -65.55 156.31 33.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 5.1799999999999997 110.794 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -88.21 -56.48 3.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.21 -0.45 . . . . 5.1399999999999997 111.158 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.9 p -85.45 129.94 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 5.6100000000000003 110.898 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -165.3 -30.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 7.0899999999999999 110.956 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.84 118.56 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 7.5700000000000003 110.952 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -102.8 4.46 37.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 8.2599999999999998 110.65 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -128.01 105.97 8.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 8.9199999999999999 110.794 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -164.56 -34.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 12.94 110.971 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -62.54 -92.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 16.039999999999999 111.24 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.416 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 23.5 pt20 -148.36 52.97 1.32 Allowed Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.218 -0.447 . . . . 15.44 111.041 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 84.8 Cg_endo -81.28 1.58 9.19 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.378 2.052 . . . . 13.529999999999999 112.4 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -98.74 155.69 36.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 16.329999999999998 110.736 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.62 116.08 2.51 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.431 2.087 . . . . 17.710000000000001 112.379 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.099 -0.953 . . . . 18.27 111.274 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.789 0.328 . . . . 17.010000000000002 110.638 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -141.86 93.23 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 16.379999999999999 110.909 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.22 29.4 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 11.59 111.136 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -85.68 135.05 33.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.7 -0.682 . . . . 12.380000000000001 110.745 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 59.14 175.64 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.459 . . . . 7.9800000000000004 110.956 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 3.3 t70 -169.98 -160.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 6.5499999999999998 110.577 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.9 tt -120.22 -20.24 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 121.077 0.465 . . . . 6.9800000000000004 111.043 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 tp -123.33 -9.88 8.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.785 -0.643 . . . . 7.0899999999999999 111.409 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -138.53 17.18 2.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.408 -0.36 . . . . 5.9299999999999997 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HB3' ' O ' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -51.8 93.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.065 0.46 . . . . 6.2699999999999996 111.134 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.24 -12.8 61.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.913 -0.585 . . . . 9.5700000000000003 110.893 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.5 m 61.08 104.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.229 -0.441 . . . . 6.3399999999999999 111.124 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.56 130.71 30.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 4.7800000000000002 111.231 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.593 HG13 ' H ' ' A' ' 16' ' ' THR . 9.1 tp -152.11 139.3 13.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.07 -0.514 . . . . 6.0800000000000001 110.855 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.5 m -94.74 23.78 5.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.307 -0.406 . . . . 4.9000000000000004 111.271 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.593 ' H ' HG13 ' A' ' 14' ' ' ILE . 90.9 m -105.5 106.33 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 5.3099999999999996 111.034 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.0 m -150.62 -179.72 7.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 5.4800000000000004 110.782 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.48 ' HG ' ' H ' ' A' ' 20' ' ' SER . 83.0 p -70.58 -55.56 8.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 5.2999999999999998 110.92 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.48 ' H ' ' HG ' ' A' ' 19' ' ' SER . 55.1 m -112.21 128.55 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 5.0800000000000001 110.781 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.0 tp -126.59 144.84 35.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 6.0800000000000001 110.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.2 t -66.03 145.15 56.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 5.1799999999999997 110.939 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.3 p -138.23 125.87 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 5.1399999999999997 110.833 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.1 p -104.4 -40.05 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 5.6100000000000003 110.707 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -134.91 -179.5 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 7.0899999999999999 110.856 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -82.13 117.74 22.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.504 . . . . 7.5700000000000003 110.839 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -141.77 18.11 2.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 8.2599999999999998 110.751 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -107.62 25.88 10.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.446 . . . . 8.9199999999999999 111.041 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -166.26 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.449 -0.342 . . . . 12.94 111.35 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -125.09 131.79 53.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.475 0.655 . . . . 16.039999999999999 110.333 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -121.42 73.83 30.6 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 114.904 -1.044 . . . . 15.44 110.949 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -89.28 -17.47 1.9 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.86 2.373 . . . . 13.529999999999999 112.294 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -97.19 158.11 33.81 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 16.329999999999998 111.02 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.83 105.47 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.429 2.086 . . . . 17.710000000000001 112.221 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.3 p . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.24 -0.886 . . . . 18.27 111.195 -179.796 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.776 0.322 . . . . 17.010000000000002 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -101.05 17.3 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 16.379999999999999 111.018 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.1 tp -147.71 21.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 11.59 110.822 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.512 ' HA ' HD22 ' A' ' 9' ' ' ASN . 75.3 mmtt -94.92 6.86 47.85 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.861 -1.063 . . . . 12.380000000000001 110.655 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -112.85 19.15 17.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.947 -0.569 . . . . 7.9800000000000004 110.714 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' CG ' ' H ' ' A' ' 7' ' ' ILE . 8.1 t70 -71.79 -159.67 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 6.5499999999999998 110.613 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.453 ' H ' ' CG ' ' A' ' 6' ' ' ASP . 8.5 mt -131.51 8.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.022 0.439 . . . . 6.9800000000000004 111.035 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -114.03 -11.85 12.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 7.0899999999999999 111.028 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.512 HD22 ' HA ' ' A' ' 4' ' ' LYS . 29.1 p-10 -116.28 -28.66 6.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.984 -0.553 . . . . 5.9299999999999997 110.816 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.3 tp -166.74 133.19 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 6.2699999999999996 110.543 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -62.1 176.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 9.5700000000000003 111.121 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.1 m -91.71 90.52 7.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 6.3399999999999999 110.912 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -99.62 13.5 33.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.979 -0.555 . . . . 4.7800000000000002 110.938 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.5 mm 61.32 104.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.141 -0.481 . . . . 6.0800000000000001 111.207 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.47 ' HG ' ' H ' ' A' ' 17' ' ' SER . 35.2 t -70.89 151.74 44.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 4.9000000000000004 110.834 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.5 p -97.33 2.97 51.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 5.3099999999999996 111.088 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.47 ' H ' ' HG ' ' A' ' 15' ' ' SER . 38.7 t -93.22 118.37 31.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 5.4800000000000004 110.81 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.9 p -156.95 -177.09 6.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 5.2999999999999998 110.772 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.6 t -161.42 106.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.36 -0.382 . . . . 5.0800000000000001 110.93 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 mt -85.83 139.01 18.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 6.0800000000000001 110.772 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -63.16 -63.15 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 5.1799999999999997 111.146 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.3 m -104.07 162.78 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 5.1399999999999997 111.035 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.2 p -125.6 -0.8 7.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 5.6100000000000003 110.964 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.84 172.17 13.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 7.0899999999999999 110.902 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -127.44 146.93 50.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 7.5700000000000003 110.986 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -70.44 128.19 35.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 8.2599999999999998 111.067 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -161.12 120.94 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 8.9199999999999999 110.835 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.4 t80 66.84 5.02 3.74 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.055 -0.52 . . . . 12.94 110.785 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -131.09 87.65 2.5 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.94 -0.573 . . . . 16.039999999999999 110.73 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.577 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 48.4 mt-30 52.81 56.64 14.81 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 114.959 -1.019 . . . . 15.44 110.742 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.577 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 4.1 Cg_exo -74.0 110.24 3.04 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.732 2.288 . . . . 13.529999999999999 112.538 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -123.02 149.72 57.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 16.329999999999998 110.552 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.81 117.38 4.07 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.472 2.115 . . . . 17.710000000000001 112.18 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.355 -0.831 . . . . 18.27 111.357 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.775 0.321 . . . . 17.010000000000002 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.661 ' HB2' ' HZ3' ' A' ' 2' ' ' LYS . 10.1 mtmp? 57.47 -169.26 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 16.379999999999999 111.185 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -161.25 133.04 5.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.02 -0.536 . . . . 11.59 110.557 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -91.42 176.18 6.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.169 -0.469 . . . . 12.380000000000001 111.322 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -73.88 163.56 27.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.53 . . . . 7.9800000000000004 111.551 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -145.7 -173.03 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.951 -0.568 . . . . 6.5499999999999998 110.362 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt -94.02 23.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.347 . . . . 6.9800000000000004 111.044 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -137.26 -7.1 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 7.0899999999999999 111.138 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -138.12 19.46 2.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 5.9299999999999997 111.246 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.43 10.92 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 6.2699999999999996 111.158 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -82.61 -13.18 56.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 9.5700000000000003 111.142 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 t -118.34 -36.31 3.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.32 -0.4 . . . . 6.3399999999999999 111.258 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -120.71 118.0 28.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 4.7800000000000002 110.836 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.2 tp -158.61 126.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 6.0800000000000001 111.092 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.0 m -157.78 148.99 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 4.9000000000000004 110.801 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.4 m -148.4 84.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.336 -0.393 . . . . 5.3099999999999996 111.4 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.8 m 54.09 19.11 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.021 -0.536 . . . . 5.4800000000000004 111.415 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -74.87 -174.33 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 5.2999999999999998 110.724 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -151.48 106.05 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 5.0800000000000001 110.808 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 pt -131.36 15.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 6.0800000000000001 111.222 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.2 t -56.95 105.28 0.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 5.1799999999999997 110.871 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -88.93 -42.45 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 5.1399999999999997 111.089 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.2 m -124.59 161.14 26.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.246 -0.434 . . . . 5.6100000000000003 111.172 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -152.62 -52.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 7.0899999999999999 110.467 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -127.98 126.54 41.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 7.5700000000000003 110.784 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -83.91 144.8 28.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 8.2599999999999998 111.09 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.18 124.93 9.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 8.9199999999999999 111.047 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -168.38 -34.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 12.94 110.459 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -93.78 -145.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.498 -0.774 . . . . 16.039999999999999 110.333 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -116.83 84.08 15.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.506 0.193 . . . . 15.44 110.85 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.424 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 34.8 Cg_exo -59.96 174.03 1.51 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.569 2.18 . . . . 13.529999999999999 112.369 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.49 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 14.0 mptt 67.6 164.18 0.13 Allowed Pre-proline 0 N--CA 1.462 0.152 0 CA-C-N 115.836 -0.62 . . . . 16.329999999999998 110.2 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.49 ' HD2' ' HB3' ' A' ' 33' ' ' LYS . 51.0 Cg_exo -34.3 95.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.712 2.275 . . . . 17.710000000000001 112.188 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.549 -0.75 . . . . 18.27 111.758 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.716 0.293 . . . . 17.010000000000002 110.736 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm 58.98 -174.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 16.379999999999999 111.117 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.2 tp -163.8 132.62 3.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 11.59 110.767 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 1.7 mptp? -105.02 -55.9 2.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.319 -0.401 . . . . 12.380000000000001 111.103 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -128.35 -167.9 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 7.9800000000000004 111.278 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.491 ' HB3' ' HB2' ' A' ' 9' ' ' ASN . 23.8 m-20 -112.68 111.43 22.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 6.5499999999999998 110.68 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 tt -63.77 -29.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 6.9800000000000004 111.552 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 8' ' ' LEU . 15.9 tp -157.56 -13.99 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.22 -0.446 . . . . 7.0899999999999999 110.734 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.491 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 6.4 m-80 -59.41 -34.6 72.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.826 -0.624 . . . . 5.9299999999999997 110.146 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.8 tp -178.3 99.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.74 -0.664 . . . . 6.2699999999999996 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -75.86 116.33 16.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 9.5700000000000003 110.855 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -143.22 -42.56 0.3 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.318 -0.401 . . . . 6.3399999999999999 111.387 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t70 57.07 -92.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 4.7800000000000002 111.145 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -136.86 -72.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.069 -0.514 . . . . 6.0800000000000001 110.832 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -110.88 137.74 48.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 4.9000000000000004 110.864 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 t -86.3 -17.03 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 5.3099999999999996 111.118 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.1 m -109.7 166.51 10.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 5.4800000000000004 111.041 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.4 p -87.06 -62.81 1.42 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.808 0.337 . . . . 5.2999999999999998 111.077 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.8 m -153.82 126.16 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 5.0800000000000001 110.933 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.5 mt 58.17 93.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.016 -0.538 . . . . 6.0800000000000001 111.235 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -140.58 -50.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.476 . . . . 5.1799999999999997 110.808 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.5 p -114.75 179.04 4.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.975 -0.557 . . . . 5.1399999999999997 110.866 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m 57.33 -169.14 0.11 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.979 -0.555 . . . . 5.6100000000000003 111.072 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 57.71 95.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.098 -0.501 . . . . 7.0899999999999999 110.984 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.21 137.11 58.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 7.5700000000000003 110.712 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -144.56 11.49 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 8.2599999999999998 111.325 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.61 85.32 1.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 8.9199999999999999 110.892 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -174.54 -30.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.179 -0.464 . . . . 12.94 110.769 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.438 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . 97.3 m95 -148.56 140.42 23.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 16.039999999999999 110.199 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -134.51 55.04 13.14 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.688 -0.687 . . . . 15.44 111.25 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD3' ' HB3' ' A' ' 30' ' ' TRP . 87.5 Cg_endo -81.76 168.51 15.82 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.634 2.223 . . . . 13.529999999999999 112.301 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -76.98 152.26 82.35 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.418 . . . . 16.329999999999998 110.767 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.44 -11.61 17.39 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.47 2.114 . . . . 17.710000000000001 112.377 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.098 -0.953 . . . . 18.27 111.307 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.3 mttm . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.893 0.378 . . . . 16.09 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 tp -167.65 19.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 11.32 110.473 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 47.19 90.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.659 -1.155 . . . . 12.01 111.372 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -91.83 179.57 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 7.5099999999999998 110.988 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.52 83.68 0.1 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.923 -0.58 . . . . 6.5499999999999998 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.5 mm -128.49 -52.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.051 -0.522 . . . . 6.5700000000000003 110.952 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 tp -145.59 -7.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.866 -0.606 . . . . 6.6600000000000001 110.844 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -90.01 -18.53 25.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.535 . . . . 5.8799999999999999 110.986 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.1 tp 58.71 90.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 5.8200000000000003 110.714 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 65.32 148.57 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.614 . . . . 8.7300000000000004 111.355 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.6 p 48.52 90.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.828 -0.624 . . . . 5.8300000000000001 111.592 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 4.7800000000000002 110.767 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.458 ' HG3' HD12 ' A' ' 3' ' ' LEU . 23.6 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.742 0.306 . . . . 16.09 111.094 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.458 HD12 ' HG3' ' A' ' 2' ' ' LYS . 6.8 mp -88.12 -176.46 5.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 11.32 110.996 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp 49.27 65.5 1.37 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.901 -0.59 . . . . 12.01 111.451 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 55.48 -167.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.003 -0.544 . . . . 7.5099999999999998 111.152 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -111.19 110.79 21.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 6.5499999999999998 111.034 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt -99.1 23.33 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 6.5700000000000003 110.596 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 8' ' ' LEU . 7.0 mp -104.12 -16.77 15.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 6.6600000000000001 110.752 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -127.91 -33.32 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.74 -0.664 . . . . 5.8799999999999999 111.171 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.9 mt -139.07 113.44 8.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.93 0.395 . . . . 5.8200000000000003 111.136 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -60.94 107.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 8.7300000000000004 110.946 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 p 48.72 90.88 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.965 -0.561 . . . . 5.8300000000000001 111.723 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.959 -0.564 . . . . 4.7800000000000002 110.869 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB2' HD12 ' A' ' 3' ' ' LEU . 94.6 mttt . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.873 0.368 . . . . 16.09 110.67 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 2' ' ' LYS . 4.0 mp -135.47 129.51 33.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.247 -0.433 . . . . 11.32 110.77 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -100.67 -168.77 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.93 -0.577 . . . . 12.01 111.029 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 65.36 -81.33 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.958 -0.565 . . . . 7.5099999999999998 111.403 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -140.71 107.53 5.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.934 0.397 . . . . 6.5499999999999998 111.39 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.0 mp -79.4 -32.99 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 6.5700000000000003 110.411 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.6 mm? -101.13 10.79 40.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.797 -0.638 . . . . 6.6600000000000001 110.034 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.5 t30 62.56 16.59 8.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.675 -0.693 . . . . 5.8799999999999999 111.168 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.58 96.81 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 5.8200000000000003 110.332 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -53.05 112.38 0.85 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.926 -0.579 . . . . 8.7300000000000004 111.204 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -146.37 9.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 5.8300000000000001 111.003 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 4.7800000000000002 111.041 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.785 0.326 . . . . 16.09 110.634 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -163.3 127.48 2.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.301 -0.408 . . . . 11.32 110.887 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -94.17 -9.8 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 12.01 111.223 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -81.63 10.62 5.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.428 -0.351 . . . . 7.5099999999999998 111.084 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -83.36 18.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 6.5499999999999998 110.27 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.539 HG22 ' HG ' ' A' ' 8' ' ' LEU . 34.9 mm -56.59 -66.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.038 -0.528 . . . . 6.5700000000000003 110.837 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.539 ' HG ' HG22 ' A' ' 7' ' ' ILE . 77.4 mt -129.51 -54.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 6.6600000000000001 110.3 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -177.82 46.79 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.021 -0.99 . . . . 5.8799999999999999 110.715 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 23.9 tp 62.53 15.8 8.19 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.078 0.466 . . . . 5.8200000000000003 110.721 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -58.48 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 8.7300000000000004 110.993 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 t -169.59 120.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 5.8300000000000001 111.255 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 4.7800000000000002 110.991 179.827 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.836 0.35 . . . . 16.09 110.673 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 3' ' ' LEU . 4.0 mp -128.63 124.49 35.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.147 -0.479 . . . . 11.32 110.823 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -100.77 5.56 43.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.025 -0.534 . . . . 12.01 110.971 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -88.56 99.94 12.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 7.5099999999999998 110.833 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -138.98 -170.78 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.95 -0.568 . . . . 6.5499999999999998 110.422 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mt -120.9 25.57 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.348 . . . . 6.5700000000000003 111.243 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -143.77 -12.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.939 0.4 . . . . 6.6600000000000001 111.096 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -84.75 -35.34 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 5.8799999999999999 110.674 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -169.39 135.7 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 5.8200000000000003 110.615 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -68.84 124.0 22.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 8.7300000000000004 110.868 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p 48.96 91.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.996 -0.547 . . . . 5.8300000000000001 111.492 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 4.7800000000000002 111.1 -179.734 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 pttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.777 0.323 . . . . 16.09 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.1 mt -116.16 130.6 56.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 11.32 111.073 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -112.15 172.01 7.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.579 . . . . 12.01 110.948 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 57.99 99.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.995 -0.548 . . . . 7.5099999999999998 110.858 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.05 -174.69 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 6.5499999999999998 110.86 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mm -85.0 -11.39 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 6.5700000000000003 110.712 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.6 mt -126.2 -10.58 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.562 . . . . 6.6600000000000001 110.527 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -102.81 -8.17 21.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.864 -0.607 . . . . 5.8799999999999999 110.565 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 tp -159.54 144.93 15.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.604 . . . . 5.8200000000000003 110.073 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -46.4 -85.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 8.7300000000000004 111.572 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.9 m -157.43 103.04 1.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 5.8300000000000001 111.139 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.267 -0.424 . . . . 4.7800000000000002 110.899 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.3 tttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.964 0.411 . . . . 16.09 110.834 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.4 tp -147.82 130.22 15.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 11.32 110.575 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.502 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 2.2 mppt? -106.98 -63.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 12.01 110.8 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.541 ' HB2' ' HG2' ' A' ' 11' ' ' ARG . 12.7 pt20 -72.85 142.2 47.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 7.5099999999999998 110.765 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -160.43 161.22 32.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 6.5499999999999998 110.465 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.3 mm -77.62 -5.72 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.06 -0.518 . . . . 6.5700000000000003 111.011 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -120.33 -9.31 9.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 6.6600000000000001 110.817 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -116.07 -7.74 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 5.8799999999999999 110.531 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.482 HD12 ' H ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 66.14 129.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.852 -0.613 . . . . 5.8200000000000003 110.751 -179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HG2' ' HB2' ' A' ' 5' ' ' GLN . 95.9 mtt180 -53.05 -18.93 2.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 8.7300000000000004 111.687 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.482 ' H ' HD12 ' A' ' 10' ' ' LEU . 45.8 p -132.3 99.86 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 5.8300000000000001 111.239 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 4.7800000000000002 110.582 179.757 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.821 0.343 . . . . 16.09 111.046 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.1 tp -170.22 134.77 1.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.116 -0.493 . . . . 11.32 110.793 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -98.63 123.89 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 12.01 110.471 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -143.13 -42.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 7.5099999999999998 111.249 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -117.16 101.18 8.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.392 -0.367 . . . . 6.5499999999999998 110.807 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.9 mm -132.48 -48.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 6.5700000000000003 111.126 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' H ' ' H ' ' A' ' 9' ' ' ASN . 17.5 tp -149.48 -13.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.011 -0.54 . . . . 6.6600000000000001 110.718 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.41 ' H ' ' H ' ' A' ' 8' ' ' LEU . 78.6 m-20 -79.52 -40.16 30.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 5.8799999999999999 110.68 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 29.0 tp 61.18 16.15 6.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 5.8200000000000003 110.77 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -97.49 -95.87 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 8.7300000000000004 111.197 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 m -153.06 -81.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 5.8300000000000001 111.155 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 4.7800000000000002 110.856 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.79 0.329 . . . . 16.09 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.5 tp 64.97 140.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.941 -0.572 . . . . 11.32 111.153 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -107.36 164.45 12.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 12.01 111.127 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 11.0 pt20 -75.78 165.1 25.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 7.5099999999999998 110.895 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -152.65 -159.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 6.5499999999999998 110.652 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 7' ' ' ILE . 9.4 mt -80.39 29.34 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.987 0.422 . . . . 6.5700000000000003 110.913 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -137.45 -5.96 1.78 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.309 -0.405 . . . . 6.6600000000000001 111.105 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.407 ' C ' ' H ' ' A' ' 11' ' ' ARG . 27.8 p-10 -166.75 35.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 5.8799999999999999 111.086 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -69.86 6.56 1.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 5.8200000000000003 111.187 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 9' ' ' ASN . 99.2 mtt180 -64.25 -80.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 8.7300000000000004 111.097 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.0 p -128.98 7.18 5.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.921 -0.582 . . . . 5.8300000000000001 110.917 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 5' ' ' GLN . 17.1 t70 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.101 -0.499 . . . . 4.7800000000000002 111.098 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.796 0.331 . . . . 16.09 110.729 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.99 32.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.07 0.462 . . . . 11.32 111.04 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.6 -169.37 2.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.79 -0.641 . . . . 12.01 110.934 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 60.75 -85.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.51 . . . . 7.5099999999999998 111.127 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.06 80.56 8.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 6.5499999999999998 110.805 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tt -144.89 -41.96 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.172 -0.467 . . . . 6.5700000000000003 110.882 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.17 -15.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 6.6600000000000001 110.298 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -103.1 25.26 9.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.649 -0.705 . . . . 5.8799999999999999 111.019 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -72.5 4.61 3.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.228 0.537 . . . . 5.8200000000000003 110.944 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -98.08 -17.64 18.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.895 -0.593 . . . . 8.7300000000000004 110.629 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.9 m -88.19 -46.91 8.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 5.8300000000000001 111.078 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 4.7800000000000002 110.621 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 87.8 tttt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.773 0.32 . . . . 16.09 110.632 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 mt 54.98 25.68 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.117 0.484 . . . . 11.32 111.232 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 48.98 95.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.126 -0.943 . . . . 12.01 111.618 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 2' ' ' LYS . 45.9 mt-30 -115.26 122.03 44.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.239 -0.437 . . . . 7.5099999999999998 110.927 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -136.09 103.41 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 6.5499999999999998 110.635 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.57 HG23 ' HG ' ' A' ' 8' ' ' LEU . 14.0 tt -100.22 -32.68 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.524 . . . . 6.5700000000000003 111.184 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.57 ' HG ' HG23 ' A' ' 7' ' ' ILE . 1.4 pp -129.48 -14.16 4.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.993 -0.549 . . . . 6.6600000000000001 110.83 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -85.44 -24.93 27.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.706 -0.679 . . . . 5.8799999999999999 110.286 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HG ' ' H ' ' A' ' 11' ' ' ARG . 11.3 tp -166.69 -150.64 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.841 -0.618 . . . . 5.8200000000000003 109.967 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.562 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 98.8 mtt180 -89.56 169.2 11.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.781 0.324 . . . . 8.7300000000000004 110.845 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 p -97.15 89.64 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 5.8300000000000001 111.169 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 4.7800000000000002 110.923 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.642 0.258 . . . . 16.09 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp 64.58 136.24 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.978 -0.555 . . . . 11.32 111.085 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -95.38 177.77 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 12.01 111.204 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -84.49 -44.13 13.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 7.5099999999999998 110.77 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.68 107.33 0.02 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.147 -0.479 . . . . 6.5499999999999998 111.43 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 7' ' ' ILE . 8.4 mt -81.56 22.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.087 0.47 . . . . 6.5700000000000003 110.724 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.55 7.61 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 6.6600000000000001 110.487 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.401 ' O ' HD22 ' A' ' 10' ' ' LEU . 3.5 p30 -163.21 -41.71 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.091 -0.504 . . . . 5.8799999999999999 111.305 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 9' ' ' ASN . 2.7 mm? -126.27 112.03 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 5.8200000000000003 111.351 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -68.07 -172.27 0.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 8.7300000000000004 110.96 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 p -73.43 83.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 5.8300000000000001 110.99 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.822 -0.627 . . . . 4.7800000000000002 110.828 179.93 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.772 0.32 . . . . 16.09 111.104 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp 66.64 136.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.831 -0.622 . . . . 11.32 111.212 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 1.2 mppt? -110.65 124.05 51.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 12.01 110.872 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -83.55 136.46 34.25 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.154 -0.475 . . . . 7.5099999999999998 111.061 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -151.98 141.41 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 6.5499999999999998 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.3 mt -85.84 21.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.14 -0.482 . . . . 6.5700000000000003 110.862 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.2 mm? -113.95 13.39 18.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.013 -0.54 . . . . 6.6600000000000001 110.351 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.59 HD22 ' HG ' ' A' ' 10' ' ' LEU . 3.4 p-10 -165.84 -39.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 5.8799999999999999 110.753 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.59 ' HG ' HD22 ' A' ' 9' ' ' ASN . 93.0 mt -136.31 97.2 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 5.8200000000000003 110.957 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -71.79 94.65 1.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 8.7300000000000004 110.651 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 p -117.44 -45.57 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 5.8300000000000001 111.045 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 4.7800000000000002 110.7 179.608 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.735 0.302 . . . . 16.09 110.957 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.95 30.58 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.961 0.41 . . . . 11.32 111.116 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -75.88 -49.85 16.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.859 -0.609 . . . . 12.01 110.661 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -142.65 -163.87 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 7.5099999999999998 110.605 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t70 62.87 8.81 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 6.5499999999999998 111.086 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mt -69.9 -50.47 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.056 0.455 . . . . 6.5700000000000003 110.701 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.5 mt -134.88 26.97 3.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.589 -0.732 . . . . 6.6600000000000001 110.089 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.8 t30 61.96 20.92 11.93 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.696 -0.684 . . . . 5.8799999999999999 110.266 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.03 105.48 12.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 5.8200000000000003 110.603 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.85 117.41 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 8.7300000000000004 110.736 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.0 m -97.67 -46.62 5.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 5.8300000000000001 111.277 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 4.7800000000000002 111.131 -179.799 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.743 0.306 . . . . 16.09 110.678 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.5 pt? -154.05 142.63 20.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.898 0.38 . . . . 11.32 111.149 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -107.63 -19.42 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.935 -0.575 . . . . 12.01 110.972 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.402 ' HG2' ' H ' ' A' ' 5' ' ' GLN . 11.7 pt20 -83.02 84.09 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 7.5099999999999998 111.175 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -175.56 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.232 0.539 . . . . 6.5499999999999998 111.096 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.1 mm -110.03 2.51 9.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.413 -0.812 . . . . 6.5700000000000003 110.329 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.71 -16.64 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.728 -0.669 . . . . 6.6600000000000001 110.478 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 24.8 t-20 -67.59 -22.19 65.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.557 -0.747 . . . . 5.8799999999999999 110.554 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.3 mp -98.01 12.48 34.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.811 -0.632 . . . . 5.8200000000000003 110.508 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -128.89 -17.54 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 8.7300000000000004 110.952 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.0 p -141.18 -65.52 0.43 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 5.8300000000000001 111.665 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 20.0 t70 . . . . . 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 4.7800000000000002 110.849 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.014 0.435 . . . . 16.09 111.13 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 3' ' ' LEU . 3.1 mm? -114.18 136.62 52.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.926 -0.579 . . . . 11.32 110.99 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -116.1 -59.87 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.127 -0.488 . . . . 12.01 110.552 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -104.47 126.56 51.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.027 -0.533 . . . . 7.5099999999999998 110.784 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -163.35 -174.58 3.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 6.5499999999999998 110.682 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.622 HD12 ' H ' ' A' ' 7' ' ' ILE . 4.4 mp -79.9 -11.65 12.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.039 0.447 . . . . 6.5700000000000003 110.802 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.1 tp -88.26 -26.58 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.157 0.504 . . . . 6.6600000000000001 110.601 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -105.31 -18.04 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.495 -0.775 . . . . 5.8799999999999999 110.008 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.6 tp 56.3 92.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.542 -0.754 . . . . 5.8200000000000003 111.259 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 47.39 37.95 6.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 8.7300000000000004 111.532 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m 65.39 121.73 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.149 -0.478 . . . . 5.8300000000000001 111.473 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 4.7800000000000002 110.748 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.724 0.297 . . . . 16.09 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.22 29.4 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 11.32 111.136 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -85.68 135.05 33.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.7 -0.682 . . . . 12.01 110.745 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 59.14 175.64 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.459 . . . . 7.5099999999999998 110.956 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 3.3 t70 -169.98 -160.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 6.5499999999999998 110.577 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.9 tt -120.22 -20.24 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 121.077 0.465 . . . . 6.5700000000000003 111.043 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 tp -123.33 -9.88 8.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.785 -0.643 . . . . 6.6600000000000001 111.409 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -138.53 17.18 2.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.408 -0.36 . . . . 5.8799999999999999 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -51.8 93.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.065 0.46 . . . . 5.8200000000000003 111.134 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.24 -12.8 61.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.913 -0.585 . . . . 8.7300000000000004 110.893 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.5 m 61.08 104.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.229 -0.441 . . . . 5.8300000000000001 111.124 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 4.7800000000000002 111.231 -179.723 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.5 mttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.652 0.263 . . . . 16.09 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.1 tp -147.71 21.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 11.32 110.822 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 9' ' ' ASN . 75.3 mmtt -94.92 6.86 47.85 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.861 -1.063 . . . . 12.01 110.655 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -112.85 19.15 17.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.947 -0.569 . . . . 7.5099999999999998 110.714 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 7' ' ' ILE . 8.1 t70 -71.79 -159.67 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 6.5499999999999998 110.613 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.422 ' H ' ' CG ' ' A' ' 6' ' ' ASP . 8.5 mt -131.51 8.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.022 0.439 . . . . 6.5700000000000003 111.035 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -114.03 -11.85 12.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 6.6600000000000001 111.028 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.571 HD21 ' HA ' ' A' ' 4' ' ' LYS . 29.1 p-10 -116.28 -28.66 6.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.984 -0.553 . . . . 5.8799999999999999 110.816 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.3 tp -166.74 133.19 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 5.8200000000000003 110.543 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -62.1 176.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 8.7300000000000004 111.121 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.1 m -91.71 90.52 7.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 5.8300000000000001 110.912 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 p30 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.979 -0.555 . . . . 4.7800000000000002 110.938 179.862 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.911 0.386 . . . . 16.09 111.185 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -161.25 133.04 5.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.02 -0.536 . . . . 11.32 110.557 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -91.42 176.18 6.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.169 -0.469 . . . . 12.01 111.322 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -73.88 163.56 27.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.53 . . . . 7.5099999999999998 111.551 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -145.7 -173.03 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.951 -0.568 . . . . 6.5499999999999998 110.362 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt -94.02 23.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.347 . . . . 6.5700000000000003 111.044 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -137.26 -7.1 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 6.6600000000000001 111.138 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -138.12 19.46 2.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 5.8799999999999999 111.246 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 1.7 pp -79.43 10.92 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 5.8200000000000003 111.158 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -82.61 -13.18 56.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 8.7300000000000004 111.142 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 t -118.34 -36.31 3.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.32 -0.4 . . . . 5.8300000000000001 111.258 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 4.7800000000000002 110.836 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.845 0.355 . . . . 16.09 111.117 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.2 tp -163.8 132.62 3.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 11.32 110.767 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 1.7 mptp? -105.02 -55.9 2.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.319 -0.401 . . . . 12.01 111.103 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -128.35 -167.9 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 7.5099999999999998 111.278 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 9' ' ' ASN . 23.8 m-20 -112.68 111.43 22.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 6.5499999999999998 110.68 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 tt -63.77 -29.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 6.5700000000000003 111.552 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 tp -157.56 -13.99 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.22 -0.446 . . . . 6.6600000000000001 110.734 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 5.4 m120 -59.41 -34.6 72.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.826 -0.624 . . . . 5.8799999999999999 110.146 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.8 tp -178.3 99.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.74 -0.664 . . . . 5.8200000000000003 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -75.86 116.33 16.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 8.7300000000000004 110.855 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -143.22 -42.56 0.3 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.318 -0.401 . . . . 5.8300000000000001 111.387 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 4.7800000000000002 111.145 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.902 0.382 . . . . 17.010000000000002 110.84 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -85.55 119.29 25.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 16.09 110.901 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 tp -167.65 19.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 11.32 110.473 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 47.19 90.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.659 -1.155 . . . . 12.01 111.372 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -91.83 179.57 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 7.5099999999999998 110.988 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.52 83.68 0.1 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.923 -0.58 . . . . 6.5499999999999998 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.5 mm -128.49 -52.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.051 -0.522 . . . . 6.5700000000000003 110.952 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 tp -145.59 -7.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.866 -0.606 . . . . 6.6600000000000001 110.844 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -90.01 -18.53 25.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.535 . . . . 5.8799999999999999 110.986 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.1 tp 58.71 90.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 5.8200000000000003 110.714 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 65.32 148.57 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.614 . . . . 8.7300000000000004 111.355 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.6 p 48.52 90.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.828 -0.624 . . . . 5.8300000000000001 111.592 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -85.54 102.8 13.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 4.7800000000000002 110.767 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt 58.15 94.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.117 -0.492 . . . . 5.6900000000000004 111.158 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.8 p -118.39 134.51 54.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 4.4800000000000004 110.865 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.3 p -67.4 -27.19 66.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 5.0099999999999998 111.076 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.0 p -59.11 115.15 2.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 5.1399999999999997 110.828 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 m -141.31 27.21 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 5.1600000000000001 111.206 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.4 m -98.8 140.49 32.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 4.8099999999999996 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.448 HD11 ' HA ' ' A' ' 24' ' ' SER . 8.4 tp -152.19 143.47 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.519 . . . . 5.6699999999999999 110.832 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 t -163.1 112.37 1.32 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.46 -0.337 . . . . 4.8799999999999999 111.279 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m 57.84 15.27 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.034 -0.53 . . . . 4.8799999999999999 111.594 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.448 ' HA ' HD11 ' A' ' 21' ' ' ILE . 32.3 t 54.9 30.83 14.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.476 -0.329 . . . . 5.1500000000000004 111.026 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 60.89 -178.02 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 7.0899999999999999 110.943 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.0 -0.8 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 7.5700000000000003 110.986 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -107.17 95.27 5.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 7.8799999999999999 110.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -162.13 24.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 8.9199999999999999 111.024 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -175.93 77.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.007 -0.368 . . . . 12.27 110.007 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.496 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 98.7 m95 67.11 132.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.632 -0.713 . . . . 15.220000000000001 110.587 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -114.58 79.86 5.84 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.213 -0.903 . . . . 14.83 110.502 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 30' ' ' TRP . 9.1 Cg_exo -71.19 112.26 3.28 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.651 2.234 . . . . 13.529999999999999 112.517 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -96.69 154.49 38.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 15.960000000000001 110.534 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.5 101.31 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.328 2.018 . . . . 17.300000000000001 112.017 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.9 m . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.322 -0.847 . . . . 18.27 111.05 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.825 0.345 . . . . 17.010000000000002 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.458 ' HG3' HD12 ' A' ' 3' ' ' LEU . 23.6 pttm -81.03 -9.68 59.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 16.09 111.094 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.458 HD12 ' HG3' ' A' ' 2' ' ' LYS . 6.8 mp -88.12 -176.46 5.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 11.32 110.996 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp 49.27 65.5 1.37 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.901 -0.59 . . . . 12.01 111.451 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 55.48 -167.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.003 -0.544 . . . . 7.5099999999999998 111.152 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -111.19 110.79 21.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 6.5499999999999998 111.034 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt -99.1 23.33 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 6.5700000000000003 110.596 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 8' ' ' LEU . 7.0 mp -104.12 -16.77 15.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 6.6600000000000001 110.752 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -127.91 -33.32 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.74 -0.664 . . . . 5.8799999999999999 111.171 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.9 mt -139.07 113.44 8.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.93 0.395 . . . . 5.8200000000000003 111.136 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -60.94 107.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 8.7300000000000004 110.946 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 p 48.72 90.88 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.965 -0.561 . . . . 5.8300000000000001 111.723 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -122.45 107.76 12.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.959 -0.564 . . . . 4.7800000000000002 110.869 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -93.31 -28.49 4.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 5.6900000000000004 110.862 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.6 t 59.52 89.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.976 -0.556 . . . . 4.4800000000000004 111.145 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.2 p -145.06 -52.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 5.0099999999999998 110.895 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 m 60.18 172.46 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.029 -0.532 . . . . 5.1399999999999997 111.447 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -154.83 -51.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 5.1600000000000001 111.203 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.6 t 62.02 175.91 0.13 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.176 -0.465 . . . . 4.8099999999999996 110.873 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.8 mt 61.9 108.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.179 -0.464 . . . . 5.6699999999999999 111.144 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.1 p 51.22 -164.44 0.05 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.102 -0.499 . . . . 4.8799999999999999 111.071 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -144.16 13.76 1.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 4.8799999999999999 110.821 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -72.07 141.05 49.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 5.1500000000000004 110.851 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.693 ' HG3' ' H ' ' A' ' 27' ' ' ASN . 9.4 tp10 -111.87 136.49 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 7.0899999999999999 110.702 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.87 -9.28 43.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 7.5700000000000003 111.203 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.693 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 26.6 t-20 -105.94 103.34 12.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.098 -0.501 . . . . 7.8799999999999999 110.834 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -156.93 25.94 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 8.9199999999999999 111.015 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -127.48 -19.02 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 12.27 111.16 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -95.94 -100.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 15.220000000000001 111.457 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -142.61 70.57 20.53 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-O 120.594 0.235 . . . . 14.83 110.991 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.82 -24.66 34.0 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.64 2.227 . . . . 13.529999999999999 112.374 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 13.1 mptt -89.63 144.59 32.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.337 -0.392 . . . . 15.960000000000001 110.966 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 19.0 Cg_exo -66.59 -0.87 4.91 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.742 2.295 . . . . 17.300000000000001 112.6 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.209 -0.901 . . . . 18.27 110.999 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.849 0.357 . . . . 17.010000000000002 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB2' HD12 ' A' ' 3' ' ' LEU . 94.6 mttt -121.82 -12.65 8.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 16.09 110.67 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 2' ' ' LYS . 4.0 mp -135.47 129.51 33.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.247 -0.433 . . . . 11.32 110.77 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -100.67 -168.77 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.93 -0.577 . . . . 12.01 111.029 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 65.36 -81.33 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.958 -0.565 . . . . 7.5099999999999998 111.403 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -140.71 107.53 5.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.934 0.397 . . . . 6.5499999999999998 111.39 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.0 mp -79.4 -32.99 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 6.5700000000000003 110.411 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.6 mm? -101.13 10.79 40.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.797 -0.638 . . . . 6.6600000000000001 110.034 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 60.5 t30 62.56 16.59 8.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.675 -0.693 . . . . 5.8799999999999999 111.168 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.58 96.81 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 5.8200000000000003 110.332 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -53.05 112.38 0.85 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.926 -0.579 . . . . 8.7300000000000004 111.204 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -146.37 9.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 5.8300000000000001 111.003 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.81 -2.34 35.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 4.7800000000000002 111.041 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.9 tt -125.53 139.91 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 5.6900000000000004 111.184 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.1 m -148.0 -6.03 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 4.4800000000000004 110.815 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.0 m -105.49 105.84 16.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 5.0099999999999998 111.037 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.0 t -139.01 159.62 41.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 5.1399999999999997 110.806 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 76.8 p -62.79 167.55 4.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 5.1600000000000001 110.885 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.7 t -80.67 -2.01 44.86 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.028 -0.533 . . . . 4.8099999999999996 111.067 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.35 109.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 5.6699999999999999 111.114 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -112.19 -13.04 13.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 4.8799999999999999 110.807 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -80.98 169.35 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 4.8799999999999999 111.087 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.4 p -125.73 154.42 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 5.1500000000000004 110.758 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.91 112.69 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.395 -0.366 . . . . 7.0899999999999999 110.783 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -81.38 135.56 35.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 7.5700000000000003 111.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -96.51 178.25 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 7.8799999999999999 110.957 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -174.33 113.52 0.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 8.9199999999999999 111.15 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.18 -47.65 1.0 Allowed 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.61 0.719 . . . . 12.27 109.476 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.447 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 99.0 m95 -150.29 135.65 18.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.677 -1.147 . . . . 15.220000000000001 110.081 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -115.75 82.47 10.44 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.442 -0.799 . . . . 14.83 110.439 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.618 ' HB2' ' HD3' ' A' ' 33' ' ' LYS . 9.5 Cg_exo -70.84 -57.74 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.606 2.204 . . . . 13.529999999999999 112.106 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.618 ' HD3' ' HB2' ' A' ' 32' ' ' PRO . 4.2 mppt? -102.29 155.36 36.59 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.258 -0.428 . . . . 15.960000000000001 110.462 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.4 117.15 3.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.451 2.101 . . . . 17.300000000000001 112.108 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.282 -0.866 . . . . 18.27 111.297 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.825 0.345 . . . . 17.010000000000002 110.756 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -77.24 142.9 39.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 16.09 110.634 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -163.3 127.48 2.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.301 -0.408 . . . . 11.32 110.887 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -94.17 -9.8 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 12.01 111.223 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -81.63 10.62 5.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.428 -0.351 . . . . 7.5099999999999998 111.084 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -83.36 18.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 6.5499999999999998 110.27 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.539 HG22 ' HG ' ' A' ' 8' ' ' LEU . 34.9 mm -56.59 -66.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.038 -0.528 . . . . 6.5700000000000003 110.837 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.539 ' HG ' HG22 ' A' ' 7' ' ' ILE . 77.4 mt -129.51 -54.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 6.6600000000000001 110.3 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -177.82 46.79 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.021 -0.99 . . . . 5.8799999999999999 110.715 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 23.9 tp 62.53 15.8 8.19 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.078 0.466 . . . . 5.8200000000000003 110.721 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -58.48 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 8.7300000000000004 110.993 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 t -169.59 120.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 5.8300000000000001 111.255 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -101.88 97.52 7.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 4.7800000000000002 110.991 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.1 mt 61.06 -83.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 5.6900000000000004 111.484 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 t 64.52 153.39 0.05 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.225 -0.443 . . . . 4.4800000000000004 111.212 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.2 p -131.93 112.42 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.984 -0.553 . . . . 5.0099999999999998 110.997 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -92.38 -20.44 21.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 5.1399999999999997 110.856 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.9 t -149.11 164.68 33.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 5.1600000000000001 110.838 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -62.88 103.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 4.8099999999999996 110.922 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.8 tp -103.85 140.01 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.504 . . . . 5.6699999999999999 111.127 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.8 t -78.07 117.4 19.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 4.8799999999999999 110.936 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.9 p -90.77 113.98 26.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 4.8799999999999999 110.803 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -95.16 176.89 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 5.1500000000000004 110.886 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -101.88 10.69 39.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 7.0899999999999999 110.714 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -101.72 -11.84 18.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 7.5700000000000003 110.831 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -114.6 -6.95 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 7.8799999999999999 110.874 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -167.96 117.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 8.9199999999999999 111.012 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -163.72 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 12.27 110.827 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -96.5 -74.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.921 -0.581 . . . . 15.220000000000001 111.047 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 54.16 69.62 2.08 Favored Pre-proline 0 N--CA 1.455 -0.222 0 CA-C-N 116.093 -0.503 . . . . 14.83 110.884 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.93 -70.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.544 2.163 . . . . 13.529999999999999 112.07 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -118.13 148.82 44.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 15.960000000000001 110.603 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.73 103.29 0.16 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.317 2.011 . . . . 17.300000000000001 112.031 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.423 -0.798 . . . . 18.27 111.069 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.871 0.367 . . . . 17.010000000000002 110.931 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -138.76 -11.17 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 16.09 110.673 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 3' ' ' LEU . 4.0 mp -128.63 124.49 35.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.147 -0.479 . . . . 11.32 110.823 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -100.77 5.56 43.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.025 -0.534 . . . . 12.01 110.971 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -88.56 99.94 12.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 7.5099999999999998 110.833 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -138.98 -170.78 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.95 -0.568 . . . . 6.5499999999999998 110.422 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mt -120.9 25.57 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.348 . . . . 6.5700000000000003 111.243 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -143.77 -12.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.939 0.4 . . . . 6.6600000000000001 111.096 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -84.75 -35.34 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 5.8799999999999999 110.674 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -169.39 135.7 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 5.8200000000000003 110.615 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -68.84 124.0 22.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 8.7300000000000004 110.868 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p 48.96 91.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.996 -0.547 . . . . 5.8300000000000001 111.492 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -93.92 107.97 19.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 4.7800000000000002 111.1 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 tp -148.43 132.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 5.6900000000000004 110.78 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.9 p -115.39 138.98 50.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.341 -0.39 . . . . 4.4800000000000004 111.283 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.2 p -110.62 18.13 20.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 5.0099999999999998 110.86 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p 51.55 28.17 4.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.902 -0.59 . . . . 5.1399999999999997 111.206 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.2 p -160.71 -31.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 5.1600000000000001 111.033 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -70.66 105.0 3.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.445 . . . . 4.8099999999999996 110.946 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.4 mt 57.1 98.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.08 -0.509 . . . . 5.6699999999999999 111.276 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.0 p -119.97 178.55 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 4.8799999999999999 110.708 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.2 p -140.95 135.58 31.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 4.8799999999999999 110.758 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 t -92.5 -32.0 15.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.39 -0.368 . . . . 5.1500000000000004 110.797 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -157.77 3.55 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 7.0899999999999999 111.146 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -69.26 138.87 54.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.443 -0.344 . . . . 7.5700000000000003 110.693 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -96.74 89.17 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 7.8799999999999999 111.068 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -174.46 113.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.991 -0.55 . . . . 8.9199999999999999 110.645 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -132.64 -38.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.002 0.43 . . . . 12.27 110.607 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -92.1 -91.36 0.16 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.474 -0.784 . . . . 15.220000000000001 111.196 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.402 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 10.8 pt20 -164.66 53.55 0.33 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 14.83 110.785 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 71.9 Cg_endo -78.67 132.05 10.68 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.282 1.988 . . . . 13.529999999999999 112.458 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -145.3 155.25 54.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.039 -0.528 . . . . 15.960000000000001 110.762 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.74 121.59 9.77 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.413 2.075 . . . . 17.300000000000001 112.064 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.204 -0.903 . . . . 18.27 111.081 -179.773 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.728 0.299 . . . . 17.010000000000002 110.952 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -114.7 13.64 17.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 16.09 111.219 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.1 mt -116.16 130.6 56.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 11.32 111.073 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -112.15 172.01 7.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.579 . . . . 12.01 110.948 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 57.99 99.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.995 -0.548 . . . . 7.5099999999999998 110.858 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.05 -174.69 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 6.5499999999999998 110.86 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mm -85.0 -11.39 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 6.5700000000000003 110.712 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.6 mt -126.2 -10.58 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.562 . . . . 6.6600000000000001 110.527 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -102.81 -8.17 21.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.864 -0.607 . . . . 5.8799999999999999 110.565 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 tp -159.54 144.93 15.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.604 . . . . 5.8200000000000003 110.073 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -46.4 -85.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 8.7300000000000004 111.572 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.9 m -157.43 103.04 1.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 5.8300000000000001 111.139 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -153.16 121.17 6.12 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.267 -0.424 . . . . 4.7800000000000002 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tp -164.85 134.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 5.6900000000000004 110.99 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 t 56.47 18.27 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 4.4800000000000004 111.333 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -105.75 -37.42 6.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 5.0099999999999998 111.243 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -128.88 158.76 37.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.349 -0.387 . . . . 5.1399999999999997 111.187 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 m -108.7 -63.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 5.1600000000000001 110.72 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.5 t -156.21 101.29 2.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 4.8099999999999996 110.587 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.483 HD12 ' N ' ' A' ' 21' ' ' ILE . 4.5 mp -114.86 133.45 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 5.6699999999999999 110.926 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.2 p -156.99 123.32 4.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 4.8799999999999999 110.979 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.5 m -102.45 109.22 20.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 4.8799999999999999 110.943 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.1 p -89.65 7.31 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 5.1500000000000004 110.934 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.85 -64.63 0.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 7.0899999999999999 110.927 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -63.83 147.08 52.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 7.5700000000000003 111.01 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -154.75 156.17 35.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.127 -0.488 . . . . 7.8799999999999999 110.782 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -138.84 106.37 5.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 8.9199999999999999 110.751 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -171.91 -28.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 12.27 110.996 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -139.17 137.4 36.03 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.266 0.555 . . . . 15.220000000000001 110.568 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -118.07 82.07 17.19 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.206 -0.906 . . . . 14.83 110.347 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.17 157.72 53.42 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.77 2.313 . . . . 13.529999999999999 112.328 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -85.85 154.36 58.31 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 15.960000000000001 110.573 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.32 105.25 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.332 2.021 . . . . 17.300000000000001 112.218 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.485 -0.769 . . . . 18.27 111.395 -179.854 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.792 0.33 . . . . 17.010000000000002 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.414 ' H ' ' H ' ' A' ' 3' ' ' LEU . 84.3 tttt -154.66 -17.55 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 16.09 110.834 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.414 ' H ' ' H ' ' A' ' 2' ' ' LYS . 59.4 tp -147.82 130.22 15.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 11.32 110.575 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.502 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 2.2 mppt? -106.98 -63.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 12.01 110.8 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.541 ' HB2' ' HG2' ' A' ' 11' ' ' ARG . 12.7 pt20 -72.85 142.2 47.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 7.5099999999999998 110.765 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -160.43 161.22 32.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 6.5499999999999998 110.465 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.3 mm -77.62 -5.72 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.06 -0.518 . . . . 6.5700000000000003 111.011 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -120.33 -9.31 9.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 6.6600000000000001 110.817 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -116.07 -7.74 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 5.8799999999999999 110.531 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD12 ' H ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 66.14 129.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.852 -0.613 . . . . 5.8200000000000003 110.751 -179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HG2' ' HB2' ' A' ' 5' ' ' GLN . 95.9 mtt180 -53.05 -18.93 2.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 8.7300000000000004 111.687 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.482 ' H ' HD12 ' A' ' 10' ' ' LEU . 45.8 p -132.3 99.86 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 5.8300000000000001 111.239 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -126.94 3.02 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 4.7800000000000002 110.582 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 14' ' ' ILE . 10.2 tt -71.45 113.08 7.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.038 -0.528 . . . . 5.6900000000000004 111.229 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.0 p -168.35 104.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 4.4800000000000004 110.802 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.9 p 50.4 23.2 1.18 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.991 -0.55 . . . . 5.0099999999999998 111.57 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.0 t -78.87 -62.23 1.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.303 -0.408 . . . . 5.1399999999999997 110.92 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -103.72 104.35 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 5.1600000000000001 111.009 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.4 m -108.74 179.94 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 4.8099999999999996 110.864 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.6 tt -144.38 144.08 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 5.6699999999999999 110.975 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 t 60.76 179.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 4.8799999999999999 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.7 p -160.88 165.21 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 4.8799999999999999 110.845 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -72.2 166.81 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 5.1500000000000004 110.838 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.1 157.79 44.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.997 0.427 . . . . 7.0899999999999999 111.248 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -134.55 5.61 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.923 -0.58 . . . . 7.5700000000000003 110.711 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -69.56 -167.89 0.15 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 7.8799999999999999 110.917 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.491 ' HB3' ' HG3' ' A' ' 32' ' ' PRO . 6.6 m-20 61.75 103.72 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.117 -0.492 . . . . 8.9199999999999999 111.087 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -122.01 -19.41 6.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.559 . . . . 12.27 110.563 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -62.8 -87.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.794 -0.639 . . . . 15.220000000000001 111.129 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -137.23 67.65 54.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 14.83 110.338 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.491 ' HG3' ' HB3' ' A' ' 28' ' ' ASP . 16.9 Cg_exo -67.51 0.74 3.74 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.844 2.362 . . . . 13.529999999999999 112.567 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -65.95 157.04 82.06 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.206 -0.452 . . . . 15.960000000000001 110.815 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.57 6.48 1.93 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.607 2.205 . . . . 17.300000000000001 112.387 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.086 -0.959 . . . . 18.27 111.375 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.78 0.324 . . . . 17.010000000000002 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -82.58 137.97 34.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 16.09 111.046 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.1 tp -170.22 134.77 1.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.116 -0.493 . . . . 11.32 110.793 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -98.63 123.89 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 12.01 110.471 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -143.13 -42.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 7.5099999999999998 111.249 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -117.16 101.18 8.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.392 -0.367 . . . . 6.5499999999999998 110.807 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.9 mm -132.48 -48.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 6.5700000000000003 111.126 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' H ' ' H ' ' A' ' 9' ' ' ASN . 17.5 tp -149.48 -13.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.011 -0.54 . . . . 6.6600000000000001 110.718 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.41 ' H ' ' H ' ' A' ' 8' ' ' LEU . 78.6 m-20 -79.52 -40.16 30.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 5.8799999999999999 110.68 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 29.0 tp 61.18 16.15 6.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 5.8200000000000003 110.77 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -97.49 -95.87 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 8.7300000000000004 111.197 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 m -153.06 -81.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 5.8300000000000001 111.155 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -169.53 85.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 4.7800000000000002 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 tp -169.6 -41.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 5.6900000000000004 111.444 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.5 m 55.89 95.06 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.962 0.41 . . . . 4.4800000000000004 110.801 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.2 m -123.35 115.63 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 5.0099999999999998 111.405 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 m -98.3 18.41 16.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 5.1399999999999997 110.592 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 t -67.25 -53.41 30.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 5.1600000000000001 111.028 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.4 m -143.5 125.44 15.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 4.8099999999999996 111.077 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 21' ' ' ILE . 10.7 tp -129.12 11.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.271 0.558 . . . . 5.6699999999999999 110.512 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.9 m -85.39 155.09 21.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.871 -0.604 . . . . 4.8799999999999999 111.109 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.9 t -119.53 164.67 15.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.101 -0.5 . . . . 4.8799999999999999 110.733 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -166.73 0.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 5.1500000000000004 110.956 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -85.11 -73.67 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 7.0899999999999999 111.049 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.72 104.79 9.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 7.5700000000000003 110.755 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -121.28 147.66 45.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 7.8799999999999999 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -143.65 119.16 10.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 8.9199999999999999 110.938 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -174.48 -30.47 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.045 -0.525 . . . . 12.27 111.178 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -106.83 -96.27 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 15.220000000000001 111.503 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -143.24 70.02 18.0 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.533 -0.303 . . . . 14.83 110.835 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -70.48 140.52 40.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.678 2.252 . . . . 13.529999999999999 112.174 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -142.47 158.83 59.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.934 -0.576 . . . . 15.960000000000001 110.415 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 33' ' ' LYS . 19.2 Cg_endo -58.41 -10.45 8.76 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.373 2.049 . . . . 17.300000000000001 112.529 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.241 -0.885 . . . . 18.27 111.09 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.724 0.297 . . . . 17.010000000000002 110.786 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 tttp 58.7 97.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.078 -0.51 . . . . 16.09 111.031 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.5 tp 64.97 140.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.941 -0.572 . . . . 11.32 111.153 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -107.36 164.45 12.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 12.01 111.127 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 11.0 pt20 -75.78 165.1 25.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 7.5099999999999998 110.895 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -152.65 -159.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 6.5499999999999998 110.652 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 7' ' ' ILE . 9.4 mt -80.39 29.34 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.987 0.422 . . . . 6.5700000000000003 110.913 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -137.45 -5.96 1.78 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.309 -0.405 . . . . 6.6600000000000001 111.105 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.407 ' C ' ' H ' ' A' ' 11' ' ' ARG . 27.8 p-10 -166.75 35.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 5.8799999999999999 111.086 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -69.86 6.56 1.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 5.8200000000000003 111.187 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 9' ' ' ASN . 99.2 mtt180 -64.25 -80.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 8.7300000000000004 111.097 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.0 p -128.98 7.18 5.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.921 -0.582 . . . . 5.8300000000000001 110.917 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 5' ' ' GLN . 17.1 t70 55.55 86.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.101 -0.499 . . . . 4.7800000000000002 111.098 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.546 HG22 HG23 ' A' ' 16' ' ' THR . 50.9 mt -77.15 -60.25 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 5.6900000000000004 110.748 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.8 m 58.89 99.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.855 -0.612 . . . . 4.4800000000000004 111.25 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.546 HG23 HG22 ' A' ' 14' ' ' ILE . 61.3 p -128.99 113.32 15.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.498 . . . . 5.0099999999999998 111.097 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.2 m -113.96 -45.28 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 5.1399999999999997 110.71 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -76.08 140.43 41.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.277 -0.42 . . . . 5.1600000000000001 110.944 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -74.65 -0.94 19.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 4.8099999999999996 111.015 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.14 130.71 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.353 -0.385 . . . . 5.6699999999999999 111.113 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.7 m -76.67 -58.67 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 4.8799999999999999 110.683 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -97.47 112.38 24.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 4.8799999999999999 110.812 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.0 p -140.58 116.5 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 5.1500000000000004 111.034 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 57.98 92.55 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.496 . . . . 7.0899999999999999 111.051 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -89.19 -9.81 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 7.5700000000000003 110.617 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -109.5 137.89 46.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.731 -0.668 . . . . 7.8799999999999999 110.992 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -130.8 18.81 5.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 8.9199999999999999 110.785 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -125.45 -16.89 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 12.27 110.932 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -85.01 -96.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.396 -0.366 . . . . 15.220000000000001 111.296 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -144.74 67.99 14.26 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.542 -0.299 . . . . 14.83 110.998 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.49 -33.98 44.58 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.589 2.193 . . . . 13.529999999999999 112.018 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -149.04 150.22 31.73 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 15.960000000000001 110.872 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.37 0.38 4.07 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.693 2.262 . . . . 17.300000000000001 112.57 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.166 -0.921 . . . . 18.27 111.416 179.918 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.858 0.361 . . . . 17.010000000000002 110.937 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -130.96 -3.55 4.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.525 . . . . 16.09 110.729 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.99 32.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.07 0.462 . . . . 11.32 111.04 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.6 -169.37 2.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.79 -0.641 . . . . 12.01 110.934 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 60.75 -85.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.51 . . . . 7.5099999999999998 111.127 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.06 80.56 8.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 6.5499999999999998 110.805 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tt -144.89 -41.96 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.172 -0.467 . . . . 6.5700000000000003 110.882 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.17 -15.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 6.6600000000000001 110.298 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -103.1 25.26 9.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.649 -0.705 . . . . 5.8799999999999999 111.019 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -72.5 4.61 3.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.228 0.537 . . . . 5.8200000000000003 110.944 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -98.08 -17.64 18.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.895 -0.593 . . . . 8.7300000000000004 110.629 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.9 m -88.19 -46.91 8.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 5.8300000000000001 111.078 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.42 99.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 4.7800000000000002 110.621 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 tp -70.02 115.18 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.18 0.514 . . . . 5.6900000000000004 111.31 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.9 t -147.4 167.53 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.838 -0.619 . . . . 4.4800000000000004 110.717 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.5 m -63.93 92.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 5.0099999999999998 111.193 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.2 t -124.57 3.27 8.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 5.1399999999999997 110.953 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.7 m 61.91 173.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 5.1600000000000001 111.102 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.2 p -154.39 -28.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 4.8099999999999996 110.943 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.5 pt -69.35 156.51 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.406 . . . . 5.6699999999999999 111.051 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.5 p -120.94 178.39 4.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 4.8799999999999999 110.848 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.5 m -135.4 -7.41 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 4.8799999999999999 110.901 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.5 m -100.89 114.13 27.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 5.1500000000000004 110.967 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -156.98 -65.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 7.0899999999999999 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -129.75 164.66 23.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.187 -0.46 . . . . 7.5700000000000003 110.897 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -97.48 12.05 34.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.412 -0.358 . . . . 7.8799999999999999 111.055 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 62.29 99.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 8.9199999999999999 110.908 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -116.45 -20.13 9.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 12.27 110.647 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -75.08 -72.97 0.27 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.996 -0.547 . . . . 15.220000000000001 111.383 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 56.97 69.15 1.78 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 14.83 111.146 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -77.26 -28.88 5.36 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.945 2.43 . . . . 13.529999999999999 112.065 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -90.52 156.4 45.43 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.505 . . . . 15.960000000000001 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.34 107.2 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.332 2.021 . . . . 17.300000000000001 112.086 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.246 -0.883 . . . . 18.27 111.092 -179.702 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.806 0.336 . . . . 17.010000000000002 110.954 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 87.8 tttt -148.68 -48.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 16.09 110.632 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 mt 54.98 25.68 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.117 0.484 . . . . 11.32 111.232 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 48.98 95.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.126 -0.943 . . . . 12.01 111.618 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 2' ' ' LYS . 45.9 mt-30 -115.26 122.03 44.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.239 -0.437 . . . . 7.5099999999999998 110.927 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -136.09 103.41 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 6.5499999999999998 110.635 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.57 HG23 ' HG ' ' A' ' 8' ' ' LEU . 14.0 tt -100.22 -32.68 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.524 . . . . 6.5700000000000003 111.184 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.57 ' HG ' HG23 ' A' ' 7' ' ' ILE . 1.4 pp -129.48 -14.16 4.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.993 -0.549 . . . . 6.6600000000000001 110.83 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -85.44 -24.93 27.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.706 -0.679 . . . . 5.8799999999999999 110.286 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HG ' ' H ' ' A' ' 11' ' ' ARG . 11.3 tp -166.69 -150.64 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.841 -0.618 . . . . 5.8200000000000003 109.967 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.562 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 98.8 mtt180 -89.56 169.2 11.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.781 0.324 . . . . 8.7300000000000004 110.845 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 p -97.15 89.64 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 5.8300000000000001 111.169 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.67 101.15 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 4.7800000000000002 110.923 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.1 tt -83.16 -28.68 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 5.6900000000000004 110.918 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.1 p -67.03 139.58 57.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 4.4800000000000004 110.725 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.9 m -129.51 -42.48 1.31 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.301 -0.408 . . . . 5.0099999999999998 111.083 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.9 m -92.67 175.2 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 5.1399999999999997 111.057 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.9 t -58.41 153.22 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 5.1600000000000001 110.905 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -152.74 -16.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 4.8099999999999996 110.943 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.8 mm 57.85 95.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.024 -0.534 . . . . 5.6699999999999999 111.105 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.8 p -156.01 -4.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 4.8799999999999999 110.776 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.7 p -98.15 -179.82 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 4.8799999999999999 110.926 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.6 p -139.29 -172.44 3.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 5.1500000000000004 110.908 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -91.5 -75.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 7.0899999999999999 110.958 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -129.4 151.51 49.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 7.5700000000000003 110.866 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -131.44 144.0 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 7.8799999999999999 111.085 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -149.08 107.0 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 8.9199999999999999 110.748 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.9 t80 60.16 89.71 0.07 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.987 -0.551 . . . . 12.27 110.54 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -149.33 -75.3 0.16 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.1 -0.5 . . . . 15.220000000000001 111.085 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.504 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 48.8 mt-30 -138.87 58.93 14.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.071 -0.513 . . . . 14.83 111.227 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 17.2 Cg_exo -66.31 -168.1 0.14 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.37 2.047 . . . . 13.529999999999999 111.991 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HD3' ' N ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -135.24 149.43 69.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 15.960000000000001 111.036 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.8 8.73 2.58 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.469 2.112 . . . . 17.300000000000001 112.224 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.143 -0.932 . . . . 18.27 111.48 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.713 0.292 . . . . 17.010000000000002 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -168.84 143.44 3.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 16.09 110.89 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp 64.58 136.24 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.978 -0.555 . . . . 11.32 111.085 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -95.38 177.77 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 12.01 111.204 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -84.49 -44.13 13.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 7.5099999999999998 110.77 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.68 107.33 0.02 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.147 -0.479 . . . . 6.5499999999999998 111.43 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 7' ' ' ILE . 8.4 mt -81.56 22.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.087 0.47 . . . . 6.5700000000000003 110.724 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.55 7.61 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 6.6600000000000001 110.487 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.401 ' O ' HD22 ' A' ' 10' ' ' LEU . 3.5 p30 -163.21 -41.71 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.091 -0.504 . . . . 5.8799999999999999 111.305 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 9' ' ' ASN . 2.7 mm? -126.27 112.03 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 5.8200000000000003 111.351 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -68.07 -172.27 0.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 8.7300000000000004 110.96 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 p -73.43 83.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 5.8300000000000001 110.99 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -132.69 117.73 18.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.822 -0.627 . . . . 4.7800000000000002 110.828 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.2 tp -93.06 -31.3 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 5.6900000000000004 111.139 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.8 p -162.14 174.01 13.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 4.4800000000000004 110.769 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.8 p -69.66 -12.71 61.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 5.0099999999999998 111.044 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.0 t -116.04 130.01 56.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 5.1399999999999997 111.04 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.8 m 61.13 12.12 3.88 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.077 -0.511 . . . . 5.1600000000000001 111.341 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 m 55.16 88.82 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.115 -0.493 . . . . 4.8099999999999996 111.155 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.1 tp -115.74 143.3 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 5.6699999999999999 110.857 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 t 60.94 12.52 3.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 4.8799999999999999 111.007 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -119.29 -21.85 7.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 4.8799999999999999 110.706 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -128.98 -20.79 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 5.1500000000000004 111.068 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 60.76 100.64 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.989 -0.55 . . . . 7.0899999999999999 110.984 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -120.01 -4.67 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 7.5700000000000003 110.959 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -91.94 41.59 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 7.8799999999999999 110.943 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.567 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 15.8 t70 -151.95 92.19 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 8.9199999999999999 110.709 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -99.39 -39.98 8.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.072 0.463 . . . . 12.27 110.672 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -125.96 -93.48 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.608 -0.724 . . . . 15.220000000000001 111.271 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -141.74 65.84 20.99 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.473 -0.331 . . . . 14.83 110.962 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HG2' ' HA ' ' A' ' 28' ' ' ASP . 20.1 Cg_exo -65.88 -31.07 48.3 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.56 2.173 . . . . 13.529999999999999 112.212 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -93.86 156.34 39.45 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 15.960000000000001 110.718 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.97 -9.71 10.6 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.432 2.088 . . . . 17.300000000000001 112.454 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.144 -0.931 . . . . 18.27 111.448 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.708 0.289 . . . . 17.010000000000002 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.23 136.87 35.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 16.09 111.104 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp 66.64 136.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.831 -0.622 . . . . 11.32 111.212 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 1.2 mppt? -110.65 124.05 51.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 12.01 110.872 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -83.55 136.46 34.25 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.154 -0.475 . . . . 7.5099999999999998 111.061 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -151.98 141.41 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 6.5499999999999998 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.3 mt -85.84 21.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.14 -0.482 . . . . 6.5700000000000003 110.862 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.2 mm? -113.95 13.39 18.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.013 -0.54 . . . . 6.6600000000000001 110.351 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.59 HD22 ' HG ' ' A' ' 10' ' ' LEU . 3.4 p-10 -165.84 -39.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 5.8799999999999999 110.753 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.59 ' HG ' HD22 ' A' ' 9' ' ' ASN . 93.0 mt -136.31 97.2 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 5.8200000000000003 110.957 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -71.79 94.65 1.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 8.7300000000000004 110.651 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 p -117.44 -45.57 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 5.8300000000000001 111.045 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.36 100.63 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 4.7800000000000002 110.7 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.1 pt -90.51 121.37 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 5.6900000000000004 111.369 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.0 m -89.66 127.58 35.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.838 -0.619 . . . . 4.4800000000000004 110.788 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.7 p -95.06 101.68 13.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 5.0099999999999998 110.8 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.7 m 56.58 82.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.519 . . . . 5.1399999999999997 110.867 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 m -124.23 142.45 51.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 5.1600000000000001 110.975 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 t -65.99 115.81 6.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 4.8099999999999996 110.777 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.6 tt -112.24 145.32 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 5.6699999999999999 110.933 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.2 m 61.96 103.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 4.8799999999999999 111.063 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.7 t -143.42 132.99 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 4.8799999999999999 110.828 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.0 p -94.58 -167.25 1.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 5.1500000000000004 110.85 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -121.14 -37.52 2.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 7.0899999999999999 111.084 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.88 -12.37 60.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.007 0.432 . . . . 7.5700000000000003 110.891 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -144.57 109.1 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 7.8799999999999999 111.046 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.532 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 5.5 p-10 -165.02 122.09 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 8.9199999999999999 111.105 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -171.09 -32.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.126 -0.488 . . . . 12.27 110.689 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -133.45 -90.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.799 -0.637 . . . . 15.220000000000001 110.665 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -143.45 65.94 15.28 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 14.83 110.584 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.532 ' HG2' ' HA ' ' A' ' 28' ' ' ASP . 22.5 Cg_exo -64.42 145.62 88.28 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.583 2.188 . . . . 13.529999999999999 112.237 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -88.26 152.37 50.11 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 15.960000000000001 110.678 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.34 13.57 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.281 1.987 . . . . 17.300000000000001 112.421 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.987 -1.006 . . . . 18.27 111.919 -179.745 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.762 0.315 . . . . 17.010000000000002 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -126.08 -1.72 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 16.09 110.957 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.95 30.58 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.961 0.41 . . . . 11.32 111.116 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -75.88 -49.85 16.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.859 -0.609 . . . . 12.01 110.661 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -142.65 -163.87 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 7.5099999999999998 110.605 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t70 62.87 8.81 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 6.5499999999999998 111.086 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mt -69.9 -50.47 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.056 0.455 . . . . 6.5700000000000003 110.701 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.5 mt -134.88 26.97 3.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.589 -0.732 . . . . 6.6600000000000001 110.089 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.8 t30 61.96 20.92 11.93 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.696 -0.684 . . . . 5.8799999999999999 110.266 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.03 105.48 12.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 5.8200000000000003 110.603 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.85 117.41 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 8.7300000000000004 110.736 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.0 m -97.67 -46.62 5.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 5.8300000000000001 111.277 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.62 105.37 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 4.7800000000000002 111.131 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.7 mt -134.54 100.14 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 5.6900000000000004 110.888 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -117.93 7.89 12.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 4.4800000000000004 110.78 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.7 p 48.26 88.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 5.0099999999999998 111.599 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -129.24 131.67 47.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 5.1399999999999997 110.939 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.6 p -165.57 2.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 5.1600000000000001 110.879 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.7 p -80.56 167.47 20.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 4.8099999999999996 110.949 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.7 tt -145.71 140.62 21.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 5.6699999999999999 110.801 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.1 m 56.72 -167.11 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.307 -0.406 . . . . 4.8799999999999999 110.985 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -148.23 1.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 4.8799999999999999 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m 58.7 -171.5 0.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.092 -0.504 . . . . 5.1500000000000004 110.902 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 61.01 -83.29 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.026 -0.533 . . . . 7.0899999999999999 111.159 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -97.01 141.16 30.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.342 -0.39 . . . . 7.5700000000000003 110.805 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -82.95 131.53 35.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 7.8799999999999999 110.901 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -171.86 115.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 8.9199999999999999 110.793 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -152.31 -35.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.38 . . . . 12.27 111.268 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -101.85 -97.12 0.28 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 15.220000000000001 111.211 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 53.6 mt-30 -147.18 62.59 7.39 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 116.565 -0.289 . . . . 14.83 111.087 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 26.4 Cg_exo -62.6 -28.35 77.07 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.333 2.022 . . . . 13.529999999999999 111.836 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 5.6 mtpm? -106.49 158.59 32.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.814 -0.63 . . . . 15.960000000000001 110.476 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 33' ' ' LYS . 19.1 Cg_endo -60.75 -9.98 13.06 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.248 1.965 . . . . 17.300000000000001 112.155 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.278 -0.868 . . . . 18.27 110.885 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.817 0.341 . . . . 17.010000000000002 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -145.78 177.91 8.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 16.09 110.678 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.5 pt? -154.05 142.63 20.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.898 0.38 . . . . 11.32 111.149 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -107.63 -19.42 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.935 -0.575 . . . . 12.01 110.972 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.402 ' HG2' ' H ' ' A' ' 5' ' ' GLN . 11.7 pt20 -83.02 84.09 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 7.5099999999999998 111.175 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -175.56 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.232 0.539 . . . . 6.5499999999999998 111.096 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.1 mm -110.03 2.51 9.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.413 -0.812 . . . . 6.5700000000000003 110.329 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.71 -16.64 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.728 -0.669 . . . . 6.6600000000000001 110.478 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 24.8 t-20 -67.59 -22.19 65.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.557 -0.747 . . . . 5.8799999999999999 110.554 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.3 mp -98.01 12.48 34.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.811 -0.632 . . . . 5.8200000000000003 110.508 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -128.89 -17.54 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 8.7300000000000004 110.952 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.0 p -141.18 -65.52 0.43 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 5.8300000000000001 111.665 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 20.0 t70 57.84 93.55 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 4.7800000000000002 110.849 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 tp -113.2 -36.14 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 5.6900000000000004 111.06 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.0 m 58.04 101.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.184 -0.462 . . . . 4.4800000000000004 111.184 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.5 t -59.54 -43.12 93.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 5.0099999999999998 111.312 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m 54.89 94.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.18 -0.464 . . . . 5.1399999999999997 111.151 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.2 p -144.99 -16.48 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 5.1600000000000001 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.8 t 57.54 32.01 21.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 4.8099999999999996 111.249 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.1 tt -81.27 131.66 33.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.422 -0.354 . . . . 5.6699999999999999 111.221 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.2 t 58.84 104.68 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.902 -0.59 . . . . 4.8799999999999999 111.301 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -123.33 -3.13 8.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 4.8799999999999999 110.942 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -82.79 121.84 27.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 5.1500000000000004 110.914 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -85.57 -44.32 12.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 7.0899999999999999 111.025 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.96 135.38 52.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 7.5700000000000003 110.934 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 m120 60.32 100.56 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.012 -0.54 . . . . 7.8799999999999999 111.127 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -146.93 22.13 1.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 8.9199999999999999 110.849 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -163.26 -32.47 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.165 -0.471 . . . . 12.27 111.075 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -142.82 136.8 29.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.3 0.572 . . . . 15.220000000000001 110.672 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -120.35 81.25 30.08 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.196 -0.911 . . . . 14.83 110.826 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -72.93 115.25 4.28 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.676 2.25 . . . . 13.529999999999999 112.061 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -104.22 155.72 36.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 15.960000000000001 110.551 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -57.22 111.3 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.399 2.066 . . . . 17.300000000000001 112.305 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.0 p . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.234 -0.889 . . . . 18.27 111.335 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.763 0.316 . . . . 17.010000000000002 110.807 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.8 -179.3 5.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 16.09 111.13 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 3' ' ' LEU . 3.1 mm? -114.18 136.62 52.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.926 -0.579 . . . . 11.32 110.99 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -116.1 -59.87 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.127 -0.488 . . . . 12.01 110.552 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -104.47 126.56 51.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.027 -0.533 . . . . 7.5099999999999998 110.784 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -163.35 -174.58 3.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 6.5499999999999998 110.682 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.622 HD12 ' H ' ' A' ' 7' ' ' ILE . 4.4 mp -79.9 -11.65 12.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.039 0.447 . . . . 6.5700000000000003 110.802 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.1 tp -88.26 -26.58 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.157 0.504 . . . . 6.6600000000000001 110.601 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -105.31 -18.04 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.495 -0.775 . . . . 5.8799999999999999 110.008 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.6 tp 56.3 92.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.542 -0.754 . . . . 5.8200000000000003 111.259 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 47.39 37.95 6.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 8.7300000000000004 111.532 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m 65.39 121.73 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.149 -0.478 . . . . 5.8300000000000001 111.473 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -81.4 110.04 16.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 4.7800000000000002 110.748 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -56.54 113.24 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.914 -0.585 . . . . 5.6900000000000004 111.153 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -88.08 155.33 19.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 4.4800000000000004 110.68 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 t -110.55 -22.08 11.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 5.0099999999999998 111.264 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t 61.18 175.07 0.11 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.159 -0.473 . . . . 5.1399999999999997 111.129 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -66.01 133.84 51.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.329 -0.396 . . . . 5.1600000000000001 110.968 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -149.15 -0.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 4.8099999999999996 111.038 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.5 mm 62.81 106.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.167 -0.469 . . . . 5.6699999999999999 111.278 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.2 t -65.55 156.31 33.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 4.8799999999999999 110.794 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -88.21 -56.48 3.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.21 -0.45 . . . . 4.8799999999999999 111.158 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.9 p -85.45 129.94 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 5.1500000000000004 110.898 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -165.3 -30.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 7.0899999999999999 110.956 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.84 118.56 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 7.5700000000000003 110.952 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -102.8 4.46 37.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 7.8799999999999999 110.65 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -128.01 105.97 8.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 8.9199999999999999 110.794 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -164.56 -34.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 12.27 110.971 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -62.54 -92.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 15.220000000000001 111.24 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.433 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 23.5 pt20 -148.36 52.97 1.32 Allowed Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.218 -0.447 . . . . 14.83 111.041 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 84.8 Cg_endo -81.28 1.58 9.19 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.378 2.052 . . . . 13.529999999999999 112.4 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -98.74 155.69 36.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 15.960000000000001 110.736 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.62 116.08 2.51 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.431 2.087 . . . . 17.300000000000001 112.379 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.417 ' H ' HG22 ' A' ' 35' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.099 -0.953 . . . . 18.27 111.274 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.789 0.328 . . . . 17.010000000000002 110.638 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -141.86 93.23 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 16.09 110.909 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.22 29.4 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 11.32 111.136 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -85.68 135.05 33.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.7 -0.682 . . . . 12.01 110.745 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 59.14 175.64 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.459 . . . . 7.5099999999999998 110.956 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 3.3 t70 -169.98 -160.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 6.5499999999999998 110.577 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.9 tt -120.22 -20.24 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 121.077 0.465 . . . . 6.5700000000000003 111.043 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 tp -123.33 -9.88 8.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.785 -0.643 . . . . 6.6600000000000001 111.409 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -138.53 17.18 2.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.408 -0.36 . . . . 5.8799999999999999 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -51.8 93.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.065 0.46 . . . . 5.8200000000000003 111.134 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.24 -12.8 61.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.913 -0.585 . . . . 8.7300000000000004 110.893 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.5 m 61.08 104.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.229 -0.441 . . . . 5.8300000000000001 111.124 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.56 130.71 30.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 4.7800000000000002 111.231 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.653 HG13 ' H ' ' A' ' 16' ' ' THR . 9.1 tp -152.11 139.3 13.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.07 -0.514 . . . . 5.6900000000000004 110.855 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.5 m -94.74 23.78 5.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.307 -0.406 . . . . 4.4800000000000004 111.271 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.653 ' H ' HG13 ' A' ' 14' ' ' ILE . 90.9 m -105.5 106.33 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 5.0099999999999998 111.034 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.0 m -150.62 -179.72 7.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 5.1399999999999997 110.782 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.0 p -70.58 -55.56 8.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 5.1600000000000001 110.92 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.1 m -112.21 128.55 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 4.8099999999999996 110.781 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.0 tp -126.59 144.84 35.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 5.6699999999999999 110.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.2 t -66.03 145.15 56.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 4.8799999999999999 110.939 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.3 p -138.23 125.87 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 4.8799999999999999 110.833 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.1 p -104.4 -40.05 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 5.1500000000000004 110.707 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -134.91 -179.5 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 7.0899999999999999 110.856 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -82.13 117.74 22.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.504 . . . . 7.5700000000000003 110.839 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -141.77 18.11 2.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 7.8799999999999999 110.751 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -107.62 25.88 10.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.446 . . . . 8.9199999999999999 111.041 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -166.26 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.449 -0.342 . . . . 12.27 111.35 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -125.09 131.79 53.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.475 0.655 . . . . 15.220000000000001 110.333 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -121.42 73.83 30.6 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 114.904 -1.044 . . . . 14.83 110.949 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -89.28 -17.47 1.9 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.86 2.373 . . . . 13.529999999999999 112.294 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -97.19 158.11 33.81 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 15.960000000000001 111.02 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.83 105.47 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.429 2.086 . . . . 17.300000000000001 112.221 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.3 p . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.24 -0.886 . . . . 18.27 111.195 -179.796 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.776 0.322 . . . . 17.010000000000002 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -101.05 17.3 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 16.09 111.018 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.1 tp -147.71 21.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 11.32 110.822 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 9' ' ' ASN . 75.3 mmtt -94.92 6.86 47.85 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.861 -1.063 . . . . 12.01 110.655 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -112.85 19.15 17.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.947 -0.569 . . . . 7.5099999999999998 110.714 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 7' ' ' ILE . 8.1 t70 -71.79 -159.67 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 6.5499999999999998 110.613 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.422 ' H ' ' CG ' ' A' ' 6' ' ' ASP . 8.5 mt -131.51 8.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.022 0.439 . . . . 6.5700000000000003 111.035 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -114.03 -11.85 12.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 6.6600000000000001 111.028 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.571 HD21 ' HA ' ' A' ' 4' ' ' LYS . 29.1 p-10 -116.28 -28.66 6.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.984 -0.553 . . . . 5.8799999999999999 110.816 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.3 tp -166.74 133.19 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 5.8200000000000003 110.543 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -62.1 176.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 8.7300000000000004 111.121 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.1 m -91.71 90.52 7.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 5.8300000000000001 110.912 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -99.62 13.5 33.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.979 -0.555 . . . . 4.7800000000000002 110.938 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.5 mm 61.32 104.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.141 -0.481 . . . . 5.6900000000000004 111.207 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -70.89 151.74 44.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 4.4800000000000004 110.834 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.5 p -97.33 2.97 51.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 5.0099999999999998 111.088 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 t -93.22 118.37 31.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 5.1399999999999997 110.81 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.9 p -156.95 -177.09 6.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 5.1600000000000001 110.772 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.6 t -161.42 106.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.36 -0.382 . . . . 4.8099999999999996 110.93 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 mt -85.83 139.01 18.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 5.6699999999999999 110.772 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -63.16 -63.15 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 4.8799999999999999 111.146 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.3 m -104.07 162.78 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 4.8799999999999999 111.035 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.2 p -125.6 -0.8 7.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 5.1500000000000004 110.964 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.84 172.17 13.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 7.0899999999999999 110.902 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -127.44 146.93 50.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 7.5700000000000003 110.986 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -70.44 128.19 35.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 7.8799999999999999 111.067 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -161.12 120.94 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 8.9199999999999999 110.835 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.4 t80 66.84 5.02 3.74 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.055 -0.52 . . . . 12.27 110.785 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -131.09 87.65 2.5 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.94 -0.573 . . . . 15.220000000000001 110.73 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.584 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 48.4 mt-30 52.81 56.64 14.81 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 114.959 -1.019 . . . . 14.83 110.742 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.584 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 4.1 Cg_exo -74.0 110.24 3.04 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.732 2.288 . . . . 13.529999999999999 112.538 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -123.02 149.72 57.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 15.960000000000001 110.552 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.81 117.38 4.07 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.472 2.115 . . . . 17.300000000000001 112.18 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.355 -0.831 . . . . 18.27 111.357 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.775 0.321 . . . . 17.010000000000002 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? 57.47 -169.26 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 16.09 111.185 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -161.25 133.04 5.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.02 -0.536 . . . . 11.32 110.557 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -91.42 176.18 6.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.169 -0.469 . . . . 12.01 111.322 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -73.88 163.56 27.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.53 . . . . 7.5099999999999998 111.551 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -145.7 -173.03 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.951 -0.568 . . . . 6.5499999999999998 110.362 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt -94.02 23.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.347 . . . . 6.5700000000000003 111.044 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -137.26 -7.1 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 6.6600000000000001 111.138 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -138.12 19.46 2.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 5.8799999999999999 111.246 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 1.7 pp -79.43 10.92 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 5.8200000000000003 111.158 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -82.61 -13.18 56.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 8.7300000000000004 111.142 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 t -118.34 -36.31 3.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.32 -0.4 . . . . 5.8300000000000001 111.258 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -120.71 118.0 28.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 4.7800000000000002 110.836 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.2 tp -158.61 126.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 5.6900000000000004 111.092 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.0 m -157.78 148.99 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 4.4800000000000004 110.801 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.4 m -148.4 84.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.336 -0.393 . . . . 5.0099999999999998 111.4 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.8 m 54.09 19.11 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.021 -0.536 . . . . 5.1399999999999997 111.415 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -74.87 -174.33 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 5.1600000000000001 110.724 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -151.48 106.05 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 4.8099999999999996 110.808 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 pt -131.36 15.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 5.6699999999999999 111.222 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.2 t -56.95 105.28 0.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 4.8799999999999999 110.871 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -88.93 -42.45 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 4.8799999999999999 111.089 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.2 m -124.59 161.14 26.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.246 -0.434 . . . . 5.1500000000000004 111.172 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -152.62 -52.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 7.0899999999999999 110.467 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -127.98 126.54 41.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 7.5700000000000003 110.784 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -83.91 144.8 28.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 7.8799999999999999 111.09 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.18 124.93 9.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 8.9199999999999999 111.047 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -168.38 -34.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 12.27 110.459 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -93.78 -145.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.498 -0.774 . . . . 15.220000000000001 110.333 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -116.83 84.08 15.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.506 0.193 . . . . 14.83 110.85 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 34.8 Cg_exo -59.96 174.03 1.51 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.569 2.18 . . . . 13.529999999999999 112.369 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 14.0 mptt 67.6 164.18 0.13 Allowed Pre-proline 0 N--CA 1.462 0.152 0 CA-C-N 115.836 -0.62 . . . . 15.960000000000001 110.2 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 33' ' ' LYS . 51.0 Cg_exo -34.3 95.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.712 2.275 . . . . 17.300000000000001 112.188 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.549 -0.75 . . . . 18.27 111.758 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.716 0.293 . . . . 17.010000000000002 110.736 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm 58.98 -174.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 16.09 111.117 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.2 tp -163.8 132.62 3.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 11.32 110.767 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 1.7 mptp? -105.02 -55.9 2.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.319 -0.401 . . . . 12.01 111.103 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -128.35 -167.9 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 7.5099999999999998 111.278 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 9' ' ' ASN . 23.8 m-20 -112.68 111.43 22.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 6.5499999999999998 110.68 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 tt -63.77 -29.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 6.5700000000000003 111.552 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 tp -157.56 -13.99 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.22 -0.446 . . . . 6.6600000000000001 110.734 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 5.4 m120 -59.41 -34.6 72.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.826 -0.624 . . . . 5.8799999999999999 110.146 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.8 tp -178.3 99.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.74 -0.664 . . . . 5.8200000000000003 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -75.86 116.33 16.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 8.7300000000000004 110.855 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -143.22 -42.56 0.3 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.318 -0.401 . . . . 5.8300000000000001 111.387 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t70 57.07 -92.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 4.7800000000000002 111.145 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -136.86 -72.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.069 -0.514 . . . . 5.6900000000000004 110.832 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -110.88 137.74 48.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 4.4800000000000004 110.864 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 t -86.3 -17.03 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 5.0099999999999998 111.118 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.1 m -109.7 166.51 10.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 5.1399999999999997 111.041 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.4 p -87.06 -62.81 1.42 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.808 0.337 . . . . 5.1600000000000001 111.077 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.8 m -153.82 126.16 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 4.8099999999999996 110.933 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.5 mt 58.17 93.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.016 -0.538 . . . . 5.6699999999999999 111.235 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -140.58 -50.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.476 . . . . 4.8799999999999999 110.808 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.5 p -114.75 179.04 4.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.975 -0.557 . . . . 4.8799999999999999 110.866 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m 57.33 -169.14 0.11 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.979 -0.555 . . . . 5.1500000000000004 111.072 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 57.71 95.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.098 -0.501 . . . . 7.0899999999999999 110.984 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.21 137.11 58.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 7.5700000000000003 110.712 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -144.56 11.49 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 7.8799999999999999 111.325 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.61 85.32 1.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 8.9199999999999999 110.892 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -174.54 -30.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.179 -0.464 . . . . 12.27 110.769 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.464 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . 97.3 m95 -148.56 140.42 23.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 15.220000000000001 110.199 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.4 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 25.2 pt20 -134.51 55.04 13.14 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.688 -0.687 . . . . 14.83 111.25 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' ' 30' ' ' TRP . 87.5 Cg_endo -81.76 168.51 15.82 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.634 2.223 . . . . 13.529999999999999 112.301 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -76.98 152.26 82.35 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.418 . . . . 15.960000000000001 110.767 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.44 -11.61 17.39 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.47 2.114 . . . . 17.300000000000001 112.377 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.098 -0.953 . . . . 18.27 111.307 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.3 mttm . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.893 0.378 . . . . 16.09 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 tp -167.65 19.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 11.32 110.473 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 47.19 90.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.659 -1.155 . . . . 12.01 111.372 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -91.83 179.57 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 7.51 110.988 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.52 83.68 0.1 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.923 -0.58 . . . . 6.55 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.5 mm -128.49 -52.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.051 -0.522 . . . . 6.57 110.952 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 tp -145.59 -7.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.866 -0.606 . . . . 6.66 110.844 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -90.01 -18.53 25.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.535 . . . . 5.88 110.986 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.1 tp 58.71 90.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 5.82 110.714 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 65.32 148.57 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.614 . . . . 8.73 111.355 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.6 p 48.52 90.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.828 -0.624 . . . . 5.83 111.592 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 4.78 110.767 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.458 ' HG3' HD12 ' A' ' 3' ' ' LEU . 23.6 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.742 0.306 . . . . 16.09 111.094 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.458 HD12 ' HG3' ' A' ' 2' ' ' LYS . 6.8 mp -88.12 -176.46 5.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 11.32 110.996 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp 49.27 65.5 1.37 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.901 -0.59 . . . . 12.01 111.451 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 55.48 -167.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.003 -0.544 . . . . 7.51 111.152 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -111.19 110.79 21.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 6.55 111.034 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt -99.1 23.33 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 6.57 110.596 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 8' ' ' LEU . 7.0 mp -104.12 -16.77 15.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 6.66 110.752 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.529 HD22 ' HG ' ' A' ' 10' ' ' LEU . 3.6 p-10 -127.91 -33.32 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.74 -0.664 . . . . 5.88 111.171 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.529 ' HG ' HD22 ' A' ' 9' ' ' ASN . 77.9 mt -139.07 113.44 8.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.93 0.395 . . . . 5.82 111.136 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -60.94 107.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 8.73 110.946 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 p 48.72 90.88 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.965 -0.561 . . . . 5.83 111.723 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 115.959 -0.564 . . . . 4.78 110.869 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB2' HD12 ' A' ' 3' ' ' LEU . 94.6 mttt . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.873 0.368 . . . . 16.09 110.67 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 2' ' ' LYS . 4.0 mp -135.47 129.51 33.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.247 -0.433 . . . . 11.32 110.77 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -100.67 -168.77 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.93 -0.577 . . . . 12.01 111.029 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 65.36 -81.33 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.958 -0.565 . . . . 7.51 111.403 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -140.71 107.53 5.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.934 0.397 . . . . 6.55 111.39 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.0 mp -79.4 -32.99 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 6.57 110.411 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.6 mm? -101.13 10.79 40.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.797 -0.638 . . . . 6.66 110.034 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 62.56 16.59 8.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.675 -0.693 . . . . 5.88 111.168 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.58 96.81 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 5.82 110.332 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -53.05 112.38 0.85 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.926 -0.579 . . . . 8.73 111.204 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -146.37 9.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 5.83 111.003 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 4.78 111.041 -179.883 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.785 0.326 . . . . 16.09 110.634 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -163.3 127.48 2.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.301 -0.408 . . . . 11.32 110.887 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -94.17 -9.8 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 12.01 111.223 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -81.63 10.62 5.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.428 -0.351 . . . . 7.51 111.084 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -83.36 18.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 6.55 110.27 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.539 HG22 ' HG ' ' A' ' 8' ' ' LEU . 34.9 mm -56.59 -66.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.038 -0.528 . . . . 6.57 110.837 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.539 ' HG ' HG22 ' A' ' 7' ' ' ILE . 77.4 mt -129.51 -54.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 6.66 110.3 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -177.82 46.79 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.021 -0.99 . . . . 5.88 110.715 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 23.9 tp 62.53 15.8 8.19 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.078 0.466 . . . . 5.82 110.721 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -58.48 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 8.73 110.993 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 t -169.59 120.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 5.83 111.255 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 4.78 110.991 179.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.836 0.35 . . . . 16.09 110.673 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 3' ' ' LEU . 4.0 mp -128.63 124.49 35.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.147 -0.479 . . . . 11.32 110.823 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -100.77 5.56 43.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.025 -0.534 . . . . 12.01 110.971 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -88.56 99.94 12.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 7.51 110.833 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.683 ' HB2' HD22 ' A' ' 9' ' ' ASN . 8.8 m-20 -138.98 -170.78 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.95 -0.568 . . . . 6.55 110.422 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mt -120.9 25.57 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.348 . . . . 6.57 111.243 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -143.77 -12.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.939 0.4 . . . . 6.66 111.096 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.683 HD22 ' HB2' ' A' ' 6' ' ' ASP . 5.3 p30 -84.75 -35.34 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 5.88 110.674 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -169.39 135.7 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 5.82 110.615 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -68.84 124.0 22.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 8.73 110.868 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p 48.96 91.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.996 -0.547 . . . . 5.83 111.492 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 4.78 111.1 -179.734 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 pttt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.777 0.323 . . . . 16.09 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.1 mt -116.16 130.6 56.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 11.32 111.073 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -112.15 172.01 7.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.579 . . . . 12.01 110.948 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 57.99 99.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.995 -0.548 . . . . 7.51 110.858 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.05 -174.69 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 6.55 110.86 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mm -85.0 -11.39 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 6.57 110.712 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.6 mt -126.2 -10.58 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.562 . . . . 6.66 110.527 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -102.81 -8.17 21.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.864 -0.607 . . . . 5.88 110.565 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 tp -159.54 144.93 15.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.604 . . . . 5.82 110.073 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -46.4 -85.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 8.73 111.572 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.9 m -157.43 103.04 1.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 5.83 111.139 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 116.267 -0.424 . . . . 4.78 110.899 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 84.3 tttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.964 0.411 . . . . 16.09 110.834 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.4 tp -147.82 130.22 15.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 11.32 110.575 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.502 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 2.2 mppt? -106.98 -63.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 12.01 110.8 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.541 ' HB2' ' HG2' ' A' ' 11' ' ' ARG . 12.7 pt20 -72.85 142.2 47.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 7.51 110.765 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -160.43 161.22 32.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 6.55 110.465 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.3 mm -77.62 -5.72 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.06 -0.518 . . . . 6.57 111.011 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -120.33 -9.31 9.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 6.66 110.817 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -116.07 -7.74 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 5.88 110.531 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.482 HD12 ' H ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 66.14 129.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.852 -0.613 . . . . 5.82 110.751 -179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HG2' ' HB2' ' A' ' 5' ' ' GLN . 95.9 mtt180 -53.05 -18.93 2.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 8.73 111.687 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.482 ' H ' HD12 ' A' ' 10' ' ' LEU . 45.8 p -132.3 99.86 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 5.83 111.239 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 4.78 110.582 179.757 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.821 0.343 . . . . 16.09 111.046 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.1 tp -170.22 134.77 1.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.116 -0.493 . . . . 11.32 110.793 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -98.63 123.89 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 12.01 110.471 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -143.13 -42.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 7.51 111.249 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -117.16 101.18 8.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.392 -0.367 . . . . 6.55 110.807 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.9 mm -132.48 -48.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 6.57 111.126 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' H ' ' H ' ' A' ' 9' ' ' ASN . 17.5 tp -149.48 -13.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.011 -0.54 . . . . 6.66 110.718 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.41 ' H ' ' H ' ' A' ' 8' ' ' LEU . 78.6 m-20 -79.52 -40.16 30.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 5.88 110.68 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 29.0 tp 61.18 16.15 6.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 5.82 110.77 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -97.49 -95.87 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 8.73 111.197 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 m -153.06 -81.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 5.83 111.155 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 4.78 110.856 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.79 0.329 . . . . 16.09 111.031 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.5 tp 64.97 140.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.941 -0.572 . . . . 11.32 111.153 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -107.36 164.45 12.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 12.01 111.127 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 11.0 pt20 -75.78 165.1 25.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 7.51 110.895 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.474 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 4.2 p-10 -152.65 -159.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 6.55 110.652 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 7' ' ' ILE . 9.4 mt -80.39 29.34 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.987 0.422 . . . . 6.57 110.913 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -137.45 -5.96 1.78 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.309 -0.405 . . . . 6.66 111.105 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.619 HD22 ' N ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -166.75 35.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 5.88 111.086 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -69.86 6.56 1.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 5.82 111.187 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 9' ' ' ASN . 99.2 mtt180 -64.25 -80.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 8.73 111.097 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.0 p -128.98 7.18 5.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.921 -0.582 . . . . 5.83 110.917 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 5' ' ' GLN . 17.1 t70 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.101 -0.499 . . . . 4.78 111.098 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.796 0.331 . . . . 16.09 110.729 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.99 32.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.07 0.462 . . . . 11.32 111.04 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.6 -169.37 2.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.79 -0.641 . . . . 12.01 110.934 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 60.75 -85.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.51 . . . . 7.51 111.127 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.06 80.56 8.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 6.55 110.805 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tt -144.89 -41.96 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.172 -0.467 . . . . 6.57 110.882 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.17 -15.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 6.66 110.298 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -103.1 25.26 9.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.649 -0.705 . . . . 5.88 111.019 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -72.5 4.61 3.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.228 0.537 . . . . 5.82 110.944 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -98.08 -17.64 18.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.895 -0.593 . . . . 8.73 110.629 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.9 m -88.19 -46.91 8.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 5.83 111.078 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 4.78 110.621 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 87.8 tttt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.773 0.32 . . . . 16.09 110.632 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 mt 54.98 25.68 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.117 0.484 . . . . 11.32 111.232 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 48.98 95.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.126 -0.943 . . . . 12.01 111.618 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 2' ' ' LYS . 45.9 mt-30 -115.26 122.03 44.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.239 -0.437 . . . . 7.51 110.927 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -136.09 103.41 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 6.55 110.635 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.57 HG23 ' HG ' ' A' ' 8' ' ' LEU . 14.0 tt -100.22 -32.68 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.524 . . . . 6.57 111.184 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.57 ' HG ' HG23 ' A' ' 7' ' ' ILE . 1.4 pp -129.48 -14.16 4.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.993 -0.549 . . . . 6.66 110.83 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -85.44 -24.93 27.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.706 -0.679 . . . . 5.88 110.286 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HG ' ' H ' ' A' ' 11' ' ' ARG . 11.3 tp -166.69 -150.64 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.841 -0.618 . . . . 5.82 109.967 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.562 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 98.8 mtt180 -89.56 169.2 11.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.781 0.324 . . . . 8.73 110.845 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 p -97.15 89.64 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 5.83 111.169 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 4.78 110.923 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.642 0.258 . . . . 16.09 110.89 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp 64.58 136.24 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.978 -0.555 . . . . 11.32 111.085 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -95.38 177.77 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 12.01 111.204 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -84.49 -44.13 13.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 7.51 110.77 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.68 107.33 0.02 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.147 -0.479 . . . . 6.55 111.43 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 7' ' ' ILE . 8.4 mt -81.56 22.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.087 0.47 . . . . 6.57 110.724 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.55 7.61 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 6.66 110.487 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.573 HD22 HD23 ' A' ' 10' ' ' LEU . 2.2 p-10 -163.21 -41.71 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.091 -0.504 . . . . 5.88 111.305 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.573 HD23 HD22 ' A' ' 9' ' ' ASN . 2.7 mm? -126.27 112.03 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 5.82 111.351 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -68.07 -172.27 0.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 8.73 110.96 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 p -73.43 83.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 5.83 110.99 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 115.822 -0.627 . . . . 4.78 110.828 179.93 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.772 0.32 . . . . 16.09 111.104 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp 66.64 136.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.831 -0.622 . . . . 11.32 111.212 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 1.2 mppt? -110.65 124.05 51.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 12.01 110.872 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -83.55 136.46 34.25 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.154 -0.475 . . . . 7.51 111.061 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -151.98 141.41 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 6.55 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.3 mt -85.84 21.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.14 -0.482 . . . . 6.57 110.862 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.2 mm? -113.95 13.39 18.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.013 -0.54 . . . . 6.66 110.351 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.59 HD22 ' HG ' ' A' ' 10' ' ' LEU . 3.4 p-10 -165.84 -39.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 5.88 110.753 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.59 ' HG ' HD22 ' A' ' 9' ' ' ASN . 93.0 mt -136.31 97.2 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 5.82 110.957 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -71.79 94.65 1.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 8.73 110.651 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 p -117.44 -45.57 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 5.83 111.045 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 4.78 110.7 179.608 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.735 0.302 . . . . 16.09 110.957 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.95 30.58 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.961 0.41 . . . . 11.32 111.116 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -75.88 -49.85 16.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.859 -0.609 . . . . 12.01 110.661 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -142.65 -163.87 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 7.51 110.605 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t70 62.87 8.81 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 6.55 111.086 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mt -69.9 -50.47 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.056 0.455 . . . . 6.57 110.701 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.5 mt -134.88 26.97 3.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.589 -0.732 . . . . 6.66 110.089 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.96 20.92 11.93 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.696 -0.684 . . . . 5.88 110.266 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.03 105.48 12.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 5.82 110.603 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.85 117.41 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 8.73 110.736 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.0 m -97.67 -46.62 5.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 5.83 111.277 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 4.78 111.131 -179.799 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.743 0.306 . . . . 16.09 110.678 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.5 pt? -154.05 142.63 20.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.898 0.38 . . . . 11.32 111.149 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -107.63 -19.42 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.935 -0.575 . . . . 12.01 110.972 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.402 ' HG2' ' H ' ' A' ' 5' ' ' GLN . 11.7 pt20 -83.02 84.09 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 7.51 111.175 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -175.56 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.232 0.539 . . . . 6.55 111.096 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.1 mm -110.03 2.51 9.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.413 -0.812 . . . . 6.57 110.329 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.71 -16.64 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.728 -0.669 . . . . 6.66 110.478 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 6.2 t30 -67.59 -22.19 65.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.557 -0.747 . . . . 5.88 110.554 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.3 mp -98.01 12.48 34.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.811 -0.632 . . . . 5.82 110.508 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -128.89 -17.54 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 8.73 110.952 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.0 p -141.18 -65.52 0.43 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 5.83 111.665 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 20.0 t70 . . . . . 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 4.78 110.849 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.014 0.435 . . . . 16.09 111.13 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.474 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.1 mm? -114.18 136.62 52.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.926 -0.579 . . . . 11.32 110.99 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -116.1 -59.87 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.127 -0.488 . . . . 12.01 110.552 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -104.47 126.56 51.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.027 -0.533 . . . . 7.51 110.784 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -163.35 -174.58 3.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 6.55 110.682 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.4 mp -79.9 -11.65 12.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.039 0.447 . . . . 6.57 110.802 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.1 tp -88.26 -26.58 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.157 0.504 . . . . 6.66 110.601 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -105.31 -18.04 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.495 -0.775 . . . . 5.88 110.008 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.6 tp 56.3 92.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.542 -0.754 . . . . 5.82 111.259 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 47.39 37.95 6.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 8.73 111.532 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m 65.39 121.73 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.149 -0.478 . . . . 5.83 111.473 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 4.78 110.748 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.724 0.297 . . . . 16.09 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.22 29.4 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 11.32 111.136 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -85.68 135.05 33.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.7 -0.682 . . . . 12.01 110.745 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 59.14 175.64 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.459 . . . . 7.51 110.956 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 3.3 t70 -169.98 -160.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 6.55 110.577 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.9 tt -120.22 -20.24 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 121.077 0.465 . . . . 6.57 111.043 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 tp -123.33 -9.88 8.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.785 -0.643 . . . . 6.66 111.409 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -138.53 17.18 2.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.408 -0.36 . . . . 5.88 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -51.8 93.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.065 0.46 . . . . 5.82 111.134 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.24 -12.8 61.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.913 -0.585 . . . . 8.73 110.893 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.5 m 61.08 104.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.229 -0.441 . . . . 5.83 111.124 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 4.78 111.231 -179.723 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.5 mttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.652 0.263 . . . . 16.09 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.1 tp -147.71 21.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 11.32 110.822 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 9' ' ' ASN . 75.3 mmtt -94.92 6.86 47.85 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.861 -1.063 . . . . 12.01 110.655 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -112.85 19.15 17.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.947 -0.569 . . . . 7.51 110.714 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 7' ' ' ILE . 8.1 t70 -71.79 -159.67 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 6.55 110.613 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.422 ' H ' ' CG ' ' A' ' 6' ' ' ASP . 8.5 mt -131.51 8.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.022 0.439 . . . . 6.57 111.035 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -114.03 -11.85 12.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 6.66 111.028 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.571 HD21 ' HA ' ' A' ' 4' ' ' LYS . 29.1 p-10 -116.28 -28.66 6.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.984 -0.553 . . . . 5.88 110.816 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.3 tp -166.74 133.19 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 5.82 110.543 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -62.1 176.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 8.73 111.121 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.1 m -91.71 90.52 7.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 5.83 110.912 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 p30 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.979 -0.555 . . . . 4.78 110.938 179.862 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 120.911 0.386 . . . . 16.09 111.185 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -161.25 133.04 5.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.02 -0.536 . . . . 11.32 110.557 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -91.42 176.18 6.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.169 -0.469 . . . . 12.01 111.322 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -73.88 163.56 27.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.53 . . . . 7.51 111.551 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -145.7 -173.03 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.951 -0.568 . . . . 6.55 110.362 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt -94.02 23.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.347 . . . . 6.57 111.044 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -137.26 -7.1 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 6.66 111.138 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -138.12 19.46 2.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 5.88 111.246 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 1.7 pp -79.43 10.92 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 5.82 111.158 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -82.61 -13.18 56.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 8.73 111.142 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 t -118.34 -36.31 3.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.32 -0.4 . . . . 5.83 111.258 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 4.78 110.836 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.845 0.355 . . . . 16.09 111.117 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.2 tp -163.8 132.62 3.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 11.32 110.767 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 1.7 mptp? -105.02 -55.9 2.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.319 -0.401 . . . . 12.01 111.103 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -128.35 -167.9 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 7.51 111.278 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 9' ' ' ASN . 23.8 m-20 -112.68 111.43 22.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 6.55 110.68 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 tt -63.77 -29.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 6.57 111.552 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 tp -157.56 -13.99 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.22 -0.446 . . . . 6.66 110.734 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 6.4 m-80 -59.41 -34.6 72.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.826 -0.624 . . . . 5.88 110.146 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.8 tp -178.3 99.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.74 -0.664 . . . . 5.82 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -75.86 116.33 16.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 8.73 110.855 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -143.22 -42.56 0.3 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.318 -0.401 . . . . 5.83 111.387 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 4.78 111.145 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.902 0.382 . . . . 17.01 110.84 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -85.55 119.29 25.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 16.09 110.901 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 tp -167.65 19.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 11.32 110.473 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm 47.19 90.79 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.659 -1.155 . . . . 12.01 111.372 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -91.83 179.57 5.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 7.51 110.988 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 56.52 83.68 0.1 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.923 -0.58 . . . . 6.55 111.007 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.5 mm -128.49 -52.02 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.051 -0.522 . . . . 6.57 110.952 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 tp -145.59 -7.61 0.59 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.866 -0.606 . . . . 6.66 110.844 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -90.01 -18.53 25.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.535 . . . . 5.88 110.986 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.1 tp 58.71 90.58 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 5.82 110.714 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 65.32 148.57 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.848 -0.614 . . . . 8.73 111.355 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.6 p 48.52 90.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.828 -0.624 . . . . 5.83 111.592 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -85.54 102.8 13.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.5 . . . . 4.78 110.767 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt 58.15 94.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.117 -0.492 . . . . 5.69 111.158 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.8 p -118.39 134.51 54.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 4.48 110.865 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.3 p -67.4 -27.19 66.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 5.01 111.076 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.0 p -59.11 115.15 2.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 5.14 110.828 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 m -141.31 27.21 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 5.16 111.206 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.4 m -98.8 140.49 32.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 4.81 111.075 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.448 HD11 ' HA ' ' A' ' 24' ' ' SER . 8.4 tp -152.19 143.47 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.057 -0.519 . . . . 5.67 110.832 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.5 t -163.1 112.37 1.32 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.46 -0.337 . . . . 4.88 111.279 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.8 m 57.84 15.27 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.034 -0.53 . . . . 4.88 111.594 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.448 ' HA ' HD11 ' A' ' 21' ' ' ILE . 32.3 t 54.9 30.83 14.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.476 -0.329 . . . . 5.15 111.026 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 60.89 -178.02 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 7.09 110.943 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -110.0 -0.8 17.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 7.57 110.986 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.64 ' HB3' HE21 ' A' ' 31' ' ' GLN . 88.5 m-20 -107.17 95.27 5.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 7.88 110.992 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -162.13 24.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 8.92 111.024 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -175.93 77.44 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 110.007 -0.368 . . . . 12.27 110.007 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.496 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 98.7 m95 67.11 132.38 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.632 -0.713 . . . . 15.22 110.587 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.64 HE21 ' HB3' ' A' ' 27' ' ' ASN . 82.5 mt-30 -114.58 79.86 5.84 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.213 -0.903 . . . . 14.83 110.502 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 30' ' ' TRP . 9.1 Cg_exo -71.19 112.26 3.28 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.651 2.234 . . . . 13.53 112.517 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -96.69 154.49 38.41 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 15.96 110.534 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.5 101.31 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.328 2.018 . . . . 17.3 112.017 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 29.9 m . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.322 -0.847 . . . . 18.27 111.05 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.825 0.345 . . . . 17.01 110.862 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.458 ' HG3' HD12 ' A' ' 3' ' ' LEU . 23.6 pttm -81.03 -9.68 59.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 16.09 111.094 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.458 HD12 ' HG3' ' A' ' 2' ' ' LYS . 6.8 mp -88.12 -176.46 5.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 11.32 110.996 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp 49.27 65.5 1.37 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.901 -0.59 . . . . 12.01 111.451 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 55.48 -167.15 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.003 -0.544 . . . . 7.51 111.152 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -111.19 110.79 21.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 6.55 111.034 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.0 mt -99.1 23.33 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 6.57 110.596 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 8' ' ' LEU . 7.0 mp -104.12 -16.77 15.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 6.66 110.752 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.529 HD22 ' HG ' ' A' ' 10' ' ' LEU . 3.6 p-10 -127.91 -33.32 2.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.74 -0.664 . . . . 5.88 111.171 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.529 ' HG ' HD22 ' A' ' 9' ' ' ASN . 77.9 mt -139.07 113.44 8.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.93 0.395 . . . . 5.82 111.136 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -60.94 107.58 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 8.73 110.946 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 65.1 p 48.72 90.88 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.965 -0.561 . . . . 5.83 111.723 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -122.45 107.76 12.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.959 -0.564 . . . . 4.78 110.869 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 55.8 mt -93.31 -28.49 4.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.21 -0.45 . . . . 5.69 110.862 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.6 t 59.52 89.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.976 -0.556 . . . . 4.48 111.145 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.2 p -145.06 -52.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.026 -0.534 . . . . 5.01 110.895 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.9 m 60.18 172.46 0.09 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.029 -0.532 . . . . 5.14 111.447 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.4 t -154.83 -51.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 5.16 111.203 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.6 t 62.02 175.91 0.13 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.176 -0.465 . . . . 4.81 110.873 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.8 mt 61.9 108.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.179 -0.464 . . . . 5.67 111.144 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.1 p 51.22 -164.44 0.05 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.102 -0.499 . . . . 4.88 111.071 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.7 m -144.16 13.76 1.64 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 4.88 110.821 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -72.07 141.05 49.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 5.15 110.851 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.693 ' HG3' ' H ' ' A' ' 27' ' ' ASN . 9.4 tp10 -111.87 136.49 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.106 -0.497 . . . . 7.09 110.702 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -67.87 -9.28 43.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 7.57 111.203 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.693 ' H ' ' HG3' ' A' ' 25' ' ' GLU . 26.6 t-20 -105.94 103.34 12.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.098 -0.501 . . . . 7.88 110.834 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -156.93 25.94 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 8.92 111.015 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -127.48 -19.02 4.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 12.27 111.16 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -95.94 -100.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 15.22 111.457 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -142.61 70.57 20.53 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-O 120.594 0.235 . . . . 14.83 110.991 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.82 -24.66 34.0 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.64 2.227 . . . . 13.53 112.374 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 13.1 mptt -89.63 144.59 32.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.337 -0.392 . . . . 15.96 110.966 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 19.0 Cg_exo -66.59 -0.87 4.91 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.742 2.295 . . . . 17.3 112.6 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.209 -0.901 . . . . 18.27 110.999 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.849 0.357 . . . . 17.01 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' HB2' HD12 ' A' ' 3' ' ' LEU . 94.6 mttt -121.82 -12.65 8.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 16.09 110.67 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD12 ' HB2' ' A' ' 2' ' ' LYS . 4.0 mp -135.47 129.51 33.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.247 -0.433 . . . . 11.32 110.77 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -100.67 -168.77 1.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.93 -0.577 . . . . 12.01 111.029 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 65.36 -81.33 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.958 -0.565 . . . . 7.51 111.403 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -140.71 107.53 5.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.934 0.397 . . . . 6.55 111.39 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 7' ' ' ILE . 4.0 mp -79.4 -32.99 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.023 -0.535 . . . . 6.57 110.411 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.6 mm? -101.13 10.79 40.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.797 -0.638 . . . . 6.66 110.034 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 62.56 16.59 8.9 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.675 -0.693 . . . . 5.88 111.168 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 53.5 tp -95.58 96.81 9.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 5.82 110.332 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -53.05 112.38 0.85 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.926 -0.579 . . . . 8.73 111.204 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.2 t -146.37 9.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 5.83 111.003 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -77.81 -2.34 35.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.018 -0.537 . . . . 4.78 111.041 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.9 tt -125.53 139.91 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 5.69 111.184 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.1 m -148.0 -6.03 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.988 -0.551 . . . . 4.48 110.815 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 42.0 m -105.49 105.84 16.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.056 -0.52 . . . . 5.01 111.037 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.0 t -139.01 159.62 41.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 5.14 110.806 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 76.8 p -62.79 167.55 4.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 5.16 110.885 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.7 t -80.67 -2.01 44.86 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.028 -0.533 . . . . 4.81 111.067 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.35 109.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 5.67 111.114 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -112.19 -13.04 13.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.055 -0.521 . . . . 4.88 110.807 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.0 m -80.98 169.35 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 4.88 111.087 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.4 p -125.73 154.42 42.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 5.15 110.758 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.91 112.69 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.395 -0.366 . . . . 7.09 110.783 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -81.38 135.56 35.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 7.57 111.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -96.51 178.25 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 7.88 110.957 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -174.33 113.52 0.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 8.92 111.15 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.18 -47.65 1.0 Allowed 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.61 0.719 . . . . 12.27 109.476 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.447 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 99.0 m95 -150.29 135.65 18.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.677 -1.147 . . . . 15.22 110.081 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -115.75 82.47 10.44 Favored Pre-proline 0 C--N 1.316 -0.868 0 CA-C-N 115.442 -0.799 . . . . 14.83 110.439 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.618 ' HB2' ' HD3' ' A' ' 33' ' ' LYS . 9.5 Cg_exo -70.84 -57.74 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.606 2.204 . . . . 13.53 112.106 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.618 ' HD3' ' HB2' ' A' ' 32' ' ' PRO . 4.2 mppt? -102.29 155.36 36.59 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.258 -0.428 . . . . 15.96 110.462 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.4 117.15 3.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.451 2.101 . . . . 17.3 112.108 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 p . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.282 -0.866 . . . . 18.27 111.297 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.825 0.345 . . . . 17.01 110.756 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -77.24 142.9 39.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 16.09 110.634 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 tp -163.3 127.48 2.89 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.301 -0.408 . . . . 11.32 110.887 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -94.17 -9.8 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 12.01 111.223 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -81.63 10.62 5.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.428 -0.351 . . . . 7.51 111.084 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -83.36 18.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 6.55 110.27 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.539 HG22 ' HG ' ' A' ' 8' ' ' LEU . 34.9 mm -56.59 -66.13 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.038 -0.528 . . . . 6.57 110.837 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.539 ' HG ' HG22 ' A' ' 7' ' ' ILE . 77.4 mt -129.51 -54.4 1.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.824 -0.625 . . . . 6.66 110.3 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -177.82 46.79 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.021 -0.99 . . . . 5.88 110.715 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 23.9 tp 62.53 15.8 8.19 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.078 0.466 . . . . 5.82 110.721 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -58.48 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 8.73 110.993 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 t -169.59 120.9 0.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 5.83 111.255 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -101.88 97.52 7.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 4.78 110.991 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.1 mt 61.06 -83.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.97 -0.559 . . . . 5.69 111.484 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.8 t 64.52 153.39 0.05 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.225 -0.443 . . . . 4.48 111.212 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.2 p -131.93 112.42 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.984 -0.553 . . . . 5.01 110.997 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -92.38 -20.44 21.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 5.14 110.856 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.9 t -149.11 164.68 33.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 5.16 110.838 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.8 m -62.88 103.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 4.81 110.922 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.8 tp -103.85 140.01 23.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.09 -0.504 . . . . 5.67 111.127 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.8 t -78.07 117.4 19.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 4.88 110.936 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.9 p -90.77 113.98 26.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 4.88 110.803 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.2 m -95.16 176.89 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 5.15 110.886 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -101.88 10.69 39.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 7.09 110.714 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -101.72 -11.84 18.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.009 -0.541 . . . . 7.57 110.831 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -114.6 -6.95 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 7.88 110.874 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -167.96 117.62 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 8.92 111.012 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -163.72 -35.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 12.27 110.827 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 26.1 m95 -96.5 -74.66 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.921 -0.581 . . . . 15.22 111.047 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 54.16 69.62 2.08 Favored Pre-proline 0 N--CA 1.455 -0.222 0 CA-C-N 116.093 -0.503 . . . . 14.83 110.884 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -68.93 -70.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.544 2.163 . . . . 13.53 112.07 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -118.13 148.82 44.43 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 15.96 110.603 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -58.73 103.29 0.16 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.317 2.011 . . . . 17.3 112.031 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.423 -0.798 . . . . 18.27 111.069 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.871 0.367 . . . . 17.01 110.931 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -138.76 -11.17 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.107 -0.497 . . . . 16.09 110.673 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 3' ' ' LEU . 4.0 mp -128.63 124.49 35.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.147 -0.479 . . . . 11.32 110.823 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -100.77 5.56 43.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.025 -0.534 . . . . 12.01 110.971 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -88.56 99.94 12.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 7.51 110.833 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.683 ' HB2' HD22 ' A' ' 9' ' ' ASN . 8.8 m-20 -138.98 -170.78 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.95 -0.568 . . . . 6.55 110.422 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mt -120.9 25.57 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.83 0.348 . . . . 6.57 111.243 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -143.77 -12.99 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.939 0.4 . . . . 6.66 111.096 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.683 HD22 ' HB2' ' A' ' 6' ' ' ASP . 5.3 p30 -84.75 -35.34 22.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.909 -0.587 . . . . 5.88 110.674 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.2 tp -169.39 135.7 1.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.078 -0.51 . . . . 5.82 110.615 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.6 mtp180 -68.84 124.0 22.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 8.73 110.868 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.2 p 48.96 91.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.996 -0.547 . . . . 5.83 111.492 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -93.92 107.97 19.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 4.78 111.1 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.7 tp -148.43 132.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.529 . . . . 5.69 110.78 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.9 p -115.39 138.98 50.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.341 -0.39 . . . . 4.48 111.283 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.2 p -110.62 18.13 20.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 5.01 110.86 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p 51.55 28.17 4.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.902 -0.59 . . . . 5.14 111.206 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 81.2 p -160.71 -31.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 5.16 111.033 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -70.66 105.0 3.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.445 . . . . 4.81 110.946 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.4 mt 57.1 98.36 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.08 -0.509 . . . . 5.67 111.276 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.0 p -119.97 178.55 4.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 4.88 110.708 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.2 p -140.95 135.58 31.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 4.88 110.758 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.1 t -92.5 -32.0 15.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.39 -0.368 . . . . 5.15 110.797 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -157.77 3.55 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 7.09 111.146 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -69.26 138.87 54.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.443 -0.344 . . . . 7.57 110.693 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -96.74 89.17 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 7.88 111.068 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -174.46 113.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.991 -0.55 . . . . 8.92 110.645 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -132.64 -38.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.002 0.43 . . . . 12.27 110.607 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 64.3 m95 -92.1 -91.36 0.16 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.474 -0.784 . . . . 15.22 111.196 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.402 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 10.8 pt20 -164.66 53.55 0.33 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 14.83 110.785 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 71.9 Cg_endo -78.67 132.05 10.68 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.282 1.988 . . . . 13.53 112.458 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' N ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -145.3 155.25 54.21 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.039 -0.528 . . . . 15.96 110.762 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.74 121.59 9.77 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.413 2.075 . . . . 17.3 112.064 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.204 -0.903 . . . . 18.27 111.081 -179.773 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.728 0.299 . . . . 17.01 110.952 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 pttt -114.7 13.64 17.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 16.09 111.219 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.1 mt -116.16 130.6 56.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 11.32 111.073 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -112.15 172.01 7.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.925 -0.579 . . . . 12.01 110.948 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 57.99 99.65 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.995 -0.548 . . . . 7.51 110.858 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.05 -174.69 3.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 6.55 110.86 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.3 mm -85.0 -11.39 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 6.57 110.712 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.6 mt -126.2 -10.58 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.562 . . . . 6.66 110.527 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -102.81 -8.17 21.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.864 -0.607 . . . . 5.88 110.565 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.2 tp -159.54 144.93 15.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.604 . . . . 5.82 110.073 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -46.4 -85.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.852 -0.613 . . . . 8.73 111.572 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.9 m -157.43 103.04 1.94 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.926 -0.579 . . . . 5.83 111.139 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -153.16 121.17 6.12 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.267 -0.424 . . . . 4.78 110.899 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.4 tp -164.85 134.61 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.24 -0.436 . . . . 5.69 110.99 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.4 t 56.47 18.27 3.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.217 -0.447 . . . . 4.48 111.333 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.0 m -105.75 -37.42 6.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.41 -0.359 . . . . 5.01 111.243 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 84.1 p -128.88 158.76 37.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.349 -0.387 . . . . 5.14 111.187 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 m -108.7 -63.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 5.16 110.72 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.5 t -156.21 101.29 2.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 4.81 110.587 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 21' ' ' ILE . 4.5 mp -114.86 133.45 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 5.67 110.926 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.2 p -156.99 123.32 4.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 4.88 110.979 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.5 m -102.45 109.22 20.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 4.88 110.943 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.1 p -89.65 7.31 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 5.15 110.934 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.85 -64.63 0.84 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.141 -0.481 . . . . 7.09 110.927 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -63.83 147.08 52.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 7.57 111.01 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -154.75 156.17 35.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.127 -0.488 . . . . 7.88 110.782 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -138.84 106.37 5.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 8.92 110.751 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -171.91 -28.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 12.27 110.996 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -139.17 137.4 36.03 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.266 0.555 . . . . 15.22 110.568 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -118.07 82.07 17.19 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.206 -0.906 . . . . 14.83 110.347 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.17 157.72 53.42 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.77 2.313 . . . . 13.53 112.328 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -85.85 154.36 58.31 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.037 -0.529 . . . . 15.96 110.573 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.32 105.25 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.332 2.021 . . . . 17.3 112.218 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.485 -0.769 . . . . 18.27 111.395 -179.854 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.792 0.33 . . . . 17.01 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.414 ' H ' ' H ' ' A' ' 3' ' ' LEU . 84.3 tttt -154.66 -17.55 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 16.09 110.834 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.414 ' H ' ' H ' ' A' ' 2' ' ' LYS . 59.4 tp -147.82 130.22 15.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 11.32 110.575 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.502 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 2.2 mppt? -106.98 -63.48 1.28 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 12.01 110.8 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.541 ' HB2' ' HG2' ' A' ' 11' ' ' ARG . 12.7 pt20 -72.85 142.2 47.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 7.51 110.765 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -160.43 161.22 32.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.149 -0.478 . . . . 6.55 110.465 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.3 mm -77.62 -5.72 8.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.06 -0.518 . . . . 6.57 111.011 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -120.33 -9.31 9.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 6.66 110.817 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -116.07 -7.74 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.023 -0.535 . . . . 5.88 110.531 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD12 ' H ' ' A' ' 12' ' ' THR . 0.3 OUTLIER 66.14 129.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.852 -0.613 . . . . 5.82 110.751 -179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HG2' ' HB2' ' A' ' 5' ' ' GLN . 95.9 mtt180 -53.05 -18.93 2.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 8.73 111.687 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.482 ' H ' HD12 ' A' ' 10' ' ' LEU . 45.8 p -132.3 99.86 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 5.83 111.239 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -126.94 3.02 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 4.78 110.582 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 14' ' ' ILE . 10.2 tt -71.45 113.08 7.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.038 -0.528 . . . . 5.69 111.229 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.0 p -168.35 104.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 4.48 110.802 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.9 p 50.4 23.2 1.18 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.991 -0.55 . . . . 5.01 111.57 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.0 t -78.87 -62.23 1.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.303 -0.408 . . . . 5.14 110.92 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.9 t -103.72 104.35 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 5.16 111.009 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.4 m -108.74 179.94 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 4.81 110.864 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 17.6 tt -144.38 144.08 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.089 -0.505 . . . . 5.67 110.975 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.2 t 60.76 179.37 0.1 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 4.88 111.014 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.7 p -160.88 165.21 30.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 4.88 110.845 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.7 p -72.2 166.81 21.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 5.15 110.838 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.1 157.79 44.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.997 0.427 . . . . 7.09 111.248 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -134.55 5.61 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.923 -0.58 . . . . 7.57 110.711 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -69.56 -167.89 0.15 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.082 -0.508 . . . . 7.88 110.917 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.491 ' HB3' ' HG3' ' A' ' 32' ' ' PRO . 6.6 m-20 61.75 103.72 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.117 -0.492 . . . . 8.92 111.087 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -122.01 -19.41 6.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.559 . . . . 12.27 110.563 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -62.8 -87.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.794 -0.639 . . . . 15.22 111.129 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -137.23 67.65 54.67 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 14.83 110.338 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.491 ' HG3' ' HB3' ' A' ' 28' ' ' ASP . 16.9 Cg_exo -67.51 0.74 3.74 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.844 2.362 . . . . 13.53 112.567 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -65.95 157.04 82.06 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.206 -0.452 . . . . 15.96 110.815 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.57 6.48 1.93 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.607 2.205 . . . . 17.3 112.387 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.086 -0.959 . . . . 18.27 111.375 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.78 0.324 . . . . 17.01 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -82.58 137.97 34.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 16.09 111.046 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.1 tp -170.22 134.77 1.24 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.116 -0.493 . . . . 11.32 110.793 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -98.63 123.89 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 12.01 110.471 179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -143.13 -42.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 7.51 111.249 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -117.16 101.18 8.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.392 -0.367 . . . . 6.55 110.807 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.9 mm -132.48 -48.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 6.57 111.126 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' H ' ' H ' ' A' ' 9' ' ' ASN . 17.5 tp -149.48 -13.61 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.011 -0.54 . . . . 6.66 110.718 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.41 ' H ' ' H ' ' A' ' 8' ' ' LEU . 78.6 m-20 -79.52 -40.16 30.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.76 -0.654 . . . . 5.88 110.68 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 29.0 tp 61.18 16.15 6.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.864 -0.607 . . . . 5.82 110.77 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -97.49 -95.87 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 8.73 111.197 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.5 m -153.06 -81.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 5.83 111.155 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -169.53 85.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 4.78 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.9 tp -169.6 -41.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 5.69 111.444 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 50.5 m 55.89 95.06 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.962 0.41 . . . . 4.48 110.801 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.2 m -123.35 115.63 21.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 5.01 111.405 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.8 m -98.3 18.41 16.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 5.14 110.592 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.8 t -67.25 -53.41 30.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 5.16 111.028 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.4 m -143.5 125.44 15.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 4.81 111.077 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 21' ' ' ILE . 10.7 tp -129.12 11.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.271 0.558 . . . . 5.67 110.512 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.9 m -85.39 155.09 21.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.871 -0.604 . . . . 4.88 111.109 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.9 t -119.53 164.67 15.47 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.101 -0.5 . . . . 4.88 110.733 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.9 t -166.73 0.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 5.15 110.956 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -85.11 -73.67 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 7.09 111.049 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.72 104.79 9.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 7.57 110.755 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -121.28 147.66 45.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 7.88 110.873 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -143.65 119.16 10.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.296 -0.411 . . . . 8.92 110.938 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -174.48 -30.47 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.045 -0.525 . . . . 12.27 111.178 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -106.83 -96.27 0.36 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 15.22 111.503 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -143.24 70.02 18.0 Favored Pre-proline 0 C--N 1.333 -0.141 0 CA-C-N 116.533 -0.303 . . . . 14.83 110.835 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -70.48 140.52 40.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.678 2.252 . . . . 13.53 112.174 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -142.47 158.83 59.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.934 -0.576 . . . . 15.96 110.415 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 33' ' ' LYS . 19.2 Cg_endo -58.41 -10.45 8.76 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.373 2.049 . . . . 17.3 112.529 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.1 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.241 -0.885 . . . . 18.27 111.09 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.724 0.297 . . . . 17.01 110.786 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.2 tttp 58.7 97.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.078 -0.51 . . . . 16.09 111.031 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 41.5 tp 64.97 140.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.941 -0.572 . . . . 11.32 111.153 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -107.36 164.45 12.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 12.01 111.127 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 11.0 pt20 -75.78 165.1 25.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.991 -0.549 . . . . 7.51 110.895 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.474 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 4.2 p-10 -152.65 -159.91 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 6.55 110.652 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.412 HG22 ' O ' ' A' ' 7' ' ' ILE . 9.4 mt -80.39 29.34 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.987 0.422 . . . . 6.57 110.913 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.0 mt -137.45 -5.96 1.78 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.309 -0.405 . . . . 6.66 111.105 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.619 HD22 ' N ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -166.75 35.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 5.88 111.086 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -69.86 6.56 1.15 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.366 -0.379 . . . . 5.82 111.187 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 9' ' ' ASN . 99.2 mtt180 -64.25 -80.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 8.73 111.097 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.0 p -128.98 7.18 5.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.921 -0.582 . . . . 5.83 110.917 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 5' ' ' GLN . 17.1 t70 55.55 86.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.101 -0.499 . . . . 4.78 111.098 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.546 HG22 HG23 ' A' ' 16' ' ' THR . 50.9 mt -77.15 -60.25 2.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 5.69 110.748 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.8 m 58.89 99.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.855 -0.612 . . . . 4.48 111.25 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.546 HG23 HG22 ' A' ' 14' ' ' ILE . 61.3 p -128.99 113.32 15.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.498 . . . . 5.01 111.097 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.2 m -113.96 -45.28 3.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.006 -0.543 . . . . 5.14 110.71 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -76.08 140.43 41.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.277 -0.42 . . . . 5.16 110.944 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.6 p -74.65 -0.94 19.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 4.81 111.015 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.14 130.71 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.353 -0.385 . . . . 5.67 111.113 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.7 m -76.67 -58.67 3.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 4.88 110.683 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.4 m -97.47 112.38 24.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 4.88 110.812 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.0 p -140.58 116.5 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 5.15 111.034 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 57.98 92.55 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.496 . . . . 7.09 111.051 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -89.19 -9.81 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 7.57 110.617 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -109.5 137.89 46.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.731 -0.668 . . . . 7.88 110.992 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -130.8 18.81 5.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 8.92 110.785 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -125.45 -16.89 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 12.27 110.932 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -85.01 -96.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.396 -0.366 . . . . 15.22 111.296 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -144.74 67.99 14.26 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.542 -0.299 . . . . 14.83 110.998 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.49 -33.98 44.58 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.589 2.193 . . . . 13.53 112.018 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -149.04 150.22 31.73 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 15.96 110.872 -179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.37 0.38 4.07 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.693 2.262 . . . . 17.3 112.57 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.166 -0.921 . . . . 18.27 111.416 179.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.858 0.361 . . . . 17.01 110.937 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -130.96 -3.55 4.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.525 . . . . 16.09 110.729 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.99 32.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.07 0.462 . . . . 11.32 111.04 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -89.6 -169.37 2.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.79 -0.641 . . . . 12.01 110.934 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 60.75 -85.63 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.077 -0.51 . . . . 7.51 111.127 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.06 80.56 8.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.858 0.361 . . . . 6.55 110.805 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.1 tt -144.89 -41.96 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 116.172 -0.467 . . . . 6.57 110.882 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.17 -15.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 6.66 110.298 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -103.1 25.26 9.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.649 -0.705 . . . . 5.88 111.019 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -72.5 4.61 3.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.228 0.537 . . . . 5.82 110.944 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -98.08 -17.64 18.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.895 -0.593 . . . . 8.73 110.629 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.9 m -88.19 -46.91 8.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 5.83 111.078 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.42 99.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 4.78 110.621 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 tp -70.02 115.18 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.18 0.514 . . . . 5.69 111.31 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.9 t -147.4 167.53 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.838 -0.619 . . . . 4.48 110.717 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.5 m -63.93 92.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 5.01 111.193 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.2 t -124.57 3.27 8.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 5.14 110.953 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.7 m 61.91 173.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.007 -0.542 . . . . 5.16 111.102 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.2 p -154.39 -28.67 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 4.81 110.943 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.5 pt -69.35 156.51 7.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.406 . . . . 5.67 111.051 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.5 p -120.94 178.39 4.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 4.88 110.848 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.5 m -135.4 -7.41 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 4.88 110.901 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.5 m -100.89 114.13 27.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 5.15 110.967 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -156.98 -65.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 7.09 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -129.75 164.66 23.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.187 -0.46 . . . . 7.57 110.897 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -97.48 12.05 34.68 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.412 -0.358 . . . . 7.88 111.055 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 62.29 99.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.325 -0.398 . . . . 8.92 110.908 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -116.45 -20.13 9.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 12.27 110.647 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -75.08 -72.97 0.27 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.996 -0.547 . . . . 15.22 111.383 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 56.97 69.15 1.78 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 14.83 111.146 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -77.26 -28.88 5.36 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.945 2.43 . . . . 13.53 112.065 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -90.52 156.4 45.43 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.505 . . . . 15.96 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.34 107.2 0.18 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.332 2.021 . . . . 17.3 112.086 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.246 -0.883 . . . . 18.27 111.092 -179.702 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.806 0.336 . . . . 17.01 110.954 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 5' ' ' GLN . 87.8 tttt -148.68 -48.75 0.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 16.09 110.632 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.3 mt 54.98 25.68 7.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.117 0.484 . . . . 11.32 111.232 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm 48.98 95.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.126 -0.943 . . . . 12.01 111.618 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 2' ' ' LYS . 45.9 mt-30 -115.26 122.03 44.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.239 -0.437 . . . . 7.51 110.927 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -136.09 103.41 5.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.029 -0.532 . . . . 6.55 110.635 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.57 HG23 ' HG ' ' A' ' 8' ' ' LEU . 14.0 tt -100.22 -32.68 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.046 -0.524 . . . . 6.57 111.184 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.57 ' HG ' HG23 ' A' ' 7' ' ' ILE . 1.4 pp -129.48 -14.16 4.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.993 -0.549 . . . . 6.66 110.83 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -85.44 -24.93 27.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.706 -0.679 . . . . 5.88 110.286 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HG ' ' H ' ' A' ' 11' ' ' ARG . 11.3 tp -166.69 -150.64 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.841 -0.618 . . . . 5.82 109.967 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.562 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 98.8 mtt180 -89.56 169.2 11.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.781 0.324 . . . . 8.73 110.845 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 77.4 p -97.15 89.64 4.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 5.83 111.169 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -85.67 101.15 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 4.78 110.923 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.1 tt -83.16 -28.68 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 5.69 110.918 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 81.1 p -67.03 139.58 57.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 4.48 110.725 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.9 m -129.51 -42.48 1.31 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.301 -0.408 . . . . 5.01 111.083 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.9 m -92.67 175.2 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 5.14 111.057 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.9 t -58.41 153.22 16.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 5.16 110.905 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -152.74 -16.98 0.16 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 4.81 110.943 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.8 mm 57.85 95.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.024 -0.534 . . . . 5.67 111.105 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.8 p -156.01 -4.17 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 4.88 110.776 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.7 p -98.15 -179.82 4.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 4.88 110.926 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.6 p -139.29 -172.44 3.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 5.15 110.908 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -91.5 -75.2 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 7.09 110.958 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -129.4 151.51 49.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 7.57 110.866 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -131.44 144.0 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 7.88 111.085 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -149.08 107.0 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 8.92 110.748 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.9 t80 60.16 89.71 0.07 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.987 -0.551 . . . . 12.27 110.54 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -149.33 -75.3 0.16 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.1 -0.5 . . . . 15.22 111.085 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.504 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 48.8 mt-30 -138.87 58.93 14.43 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.071 -0.513 . . . . 14.83 111.227 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.504 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 17.2 Cg_exo -66.31 -168.1 0.14 Allowed 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.37 2.047 . . . . 13.53 111.991 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' N ' ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -135.24 149.43 69.9 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.448 -0.342 . . . . 15.96 111.036 -179.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.8 8.73 2.58 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.469 2.112 . . . . 17.3 112.224 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.143 -0.932 . . . . 18.27 111.48 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.713 0.292 . . . . 17.01 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -168.84 143.44 3.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 16.09 110.89 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.0 tp 64.58 136.24 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.978 -0.555 . . . . 11.32 111.085 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -95.38 177.77 5.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.978 -0.555 . . . . 12.01 111.204 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -84.49 -44.13 13.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 7.51 110.77 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.68 107.33 0.02 OUTLIER 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.147 -0.479 . . . . 6.55 111.43 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' HG22 ' A' ' 7' ' ' ILE . 8.4 mt -81.56 22.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.087 0.47 . . . . 6.57 110.724 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.55 7.61 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.958 -0.564 . . . . 6.66 110.487 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.573 HD22 HD23 ' A' ' 10' ' ' LEU . 2.2 p-10 -163.21 -41.71 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.091 -0.504 . . . . 5.88 111.305 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.573 HD23 HD22 ' A' ' 9' ' ' ASN . 2.7 mm? -126.27 112.03 15.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 5.82 111.351 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -68.07 -172.27 0.29 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 8.73 110.96 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.1 p -73.43 83.99 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 5.83 110.99 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -132.69 117.73 18.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.822 -0.627 . . . . 4.78 110.828 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.2 tp -93.06 -31.3 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 5.69 111.139 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.8 p -162.14 174.01 13.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 4.48 110.769 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.8 p -69.66 -12.71 61.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 5.01 111.044 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.0 t -116.04 130.01 56.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 5.14 111.04 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.8 m 61.13 12.12 3.88 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.077 -0.511 . . . . 5.16 111.341 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.3 m 55.16 88.82 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.115 -0.493 . . . . 4.81 111.155 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.1 tp -115.74 143.3 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 5.67 110.857 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 t 60.94 12.52 3.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.229 -0.441 . . . . 4.88 111.007 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -119.29 -21.85 7.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 4.88 110.706 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.1 t -128.98 -20.79 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 5.15 111.068 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 60.76 100.64 0.02 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.989 -0.55 . . . . 7.09 110.984 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -120.01 -4.67 10.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 7.57 110.959 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -91.94 41.59 1.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 7.88 110.943 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.567 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 15.8 t70 -151.95 92.19 1.7 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 8.92 110.709 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -99.39 -39.98 8.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.072 0.463 . . . . 12.27 110.672 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -125.96 -93.48 0.48 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.608 -0.724 . . . . 15.22 111.271 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -141.74 65.84 20.99 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.473 -0.331 . . . . 14.83 110.962 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.567 ' HG2' ' HA ' ' A' ' 28' ' ' ASP . 20.1 Cg_exo -65.88 -31.07 48.3 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.56 2.173 . . . . 13.53 112.212 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -93.86 156.34 39.45 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.224 -0.444 . . . . 15.96 110.718 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.97 -9.71 10.6 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.432 2.088 . . . . 17.3 112.454 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.144 -0.931 . . . . 18.27 111.448 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.708 0.289 . . . . 17.01 111.024 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.23 136.87 35.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 16.09 111.104 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.1 tp 66.64 136.54 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.831 -0.622 . . . . 11.32 111.212 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 1.2 mppt? -110.65 124.05 51.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.798 -0.637 . . . . 12.01 110.872 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -83.55 136.46 34.25 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.154 -0.475 . . . . 7.51 111.061 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -151.98 141.41 21.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 6.55 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.3 mt -85.84 21.22 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.14 -0.482 . . . . 6.57 110.862 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 8' ' ' LEU . 3.2 mm? -113.95 13.39 18.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.013 -0.54 . . . . 6.66 110.351 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.59 HD22 ' HG ' ' A' ' 10' ' ' LEU . 3.4 p-10 -165.84 -39.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.926 -0.579 . . . . 5.88 110.753 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.59 ' HG ' HD22 ' A' ' 9' ' ' ASN . 93.0 mt -136.31 97.2 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 5.82 110.957 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -71.79 94.65 1.42 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 8.73 110.651 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.7 p -117.44 -45.57 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 5.83 111.045 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.36 100.63 9.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 4.78 110.7 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.1 pt -90.51 121.37 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 5.69 111.369 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.0 m -89.66 127.58 35.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.838 -0.619 . . . . 4.48 110.788 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.7 p -95.06 101.68 13.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 5.01 110.8 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.7 m 56.58 82.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.057 -0.519 . . . . 5.14 110.867 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 m -124.23 142.45 51.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 5.16 110.975 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.7 t -65.99 115.81 6.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 4.81 110.777 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.6 tt -112.24 145.32 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 5.67 110.933 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.2 m 61.96 103.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.106 -0.497 . . . . 4.88 111.063 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.7 t -143.42 132.99 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 4.88 110.828 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.0 p -94.58 -167.25 1.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 5.15 110.85 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -121.14 -37.52 2.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.238 -0.437 . . . . 7.09 111.084 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.88 -12.37 60.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.007 0.432 . . . . 7.57 110.891 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -144.57 109.1 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 7.88 111.046 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.532 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 5.5 p-10 -165.02 122.09 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 8.92 111.105 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -171.09 -32.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.126 -0.488 . . . . 12.27 110.689 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -133.45 -90.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.799 -0.637 . . . . 15.22 110.665 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -143.45 65.94 15.28 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 14.83 110.584 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.532 ' HG2' ' HA ' ' A' ' 28' ' ' ASP . 22.5 Cg_exo -64.42 145.62 88.28 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.583 2.188 . . . . 13.53 112.237 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -88.26 152.37 50.11 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 15.96 110.678 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.34 13.57 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.281 1.987 . . . . 17.3 112.421 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 117.987 -1.006 . . . . 18.27 111.919 -179.745 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.762 0.315 . . . . 17.01 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -126.08 -1.72 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 16.09 110.957 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.95 30.58 2.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.961 0.41 . . . . 11.32 111.116 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -75.88 -49.85 16.74 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.859 -0.609 . . . . 12.01 110.661 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -142.65 -163.87 1.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 7.51 110.605 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 22.0 t70 62.87 8.81 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.449 . . . . 6.55 111.086 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.5 mt -69.9 -50.47 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.056 0.455 . . . . 6.57 110.701 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.5 mt -134.88 26.97 3.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.589 -0.732 . . . . 6.66 110.089 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 61.96 20.92 11.93 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.696 -0.684 . . . . 5.88 110.266 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.03 105.48 12.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.524 . . . . 5.82 110.603 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -57.85 117.41 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 8.73 110.736 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 49.0 m -97.67 -46.62 5.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 5.83 111.277 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -74.62 105.37 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 4.78 111.131 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.7 mt -134.54 100.14 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 5.69 110.888 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -117.93 7.89 12.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 4.48 110.78 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.7 p 48.26 88.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 5.01 111.599 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.7 m -129.24 131.67 47.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.026 -0.534 . . . . 5.14 110.939 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.6 p -165.57 2.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 5.16 110.879 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 82.7 p -80.56 167.47 20.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 4.81 110.949 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.7 tt -145.71 140.62 21.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 5.67 110.801 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.1 m 56.72 -167.11 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.307 -0.406 . . . . 4.88 110.985 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.9 t -148.23 1.05 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 4.88 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 50.5 m 58.7 -171.5 0.11 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.092 -0.504 . . . . 5.15 110.902 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 61.01 -83.29 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.026 -0.533 . . . . 7.09 111.159 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -97.01 141.16 30.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.342 -0.39 . . . . 7.57 110.805 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -82.95 131.53 35.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 7.88 110.901 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -171.86 115.15 0.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 8.92 110.793 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -152.31 -35.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.38 . . . . 12.27 111.268 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -101.85 -97.12 0.28 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.484 . . . . 15.22 111.211 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 53.6 mt-30 -147.18 62.59 7.39 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 116.565 -0.289 . . . . 14.83 111.087 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 26.4 Cg_exo -62.6 -28.35 77.07 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.333 2.022 . . . . 13.53 111.836 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 5.6 mtpm? -106.49 158.59 32.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.814 -0.63 . . . . 15.96 110.476 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 33' ' ' LYS . 19.1 Cg_endo -60.75 -9.98 13.06 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.248 1.965 . . . . 17.3 112.155 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.278 -0.868 . . . . 18.27 110.885 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.817 0.341 . . . . 17.01 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -145.78 177.91 8.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.184 -0.462 . . . . 16.09 110.678 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.5 pt? -154.05 142.63 20.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.898 0.38 . . . . 11.32 111.149 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -107.63 -19.42 13.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.935 -0.575 . . . . 12.01 110.972 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.402 ' HG2' ' H ' ' A' ' 5' ' ' GLN . 11.7 pt20 -83.02 84.09 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 7.51 111.175 -179.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -175.56 -36.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.232 0.539 . . . . 6.55 111.096 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.1 mm -110.03 2.51 9.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.413 -0.812 . . . . 6.57 110.329 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.7 mt -142.71 -16.64 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.728 -0.669 . . . . 6.66 110.478 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 6.2 t30 -67.59 -22.19 65.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.557 -0.747 . . . . 5.88 110.554 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 10' ' ' LEU . 7.3 mp -98.01 12.48 34.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.811 -0.632 . . . . 5.82 110.508 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -128.89 -17.54 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.905 -0.589 . . . . 8.73 110.952 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.0 p -141.18 -65.52 0.43 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 5.83 111.665 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ASN . 20.0 t70 57.84 93.55 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 4.78 110.849 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 tp -113.2 -36.14 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 5.69 111.06 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 59.0 m 58.04 101.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.184 -0.462 . . . . 4.48 111.184 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.5 t -59.54 -43.12 93.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 5.01 111.312 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.9 m 54.89 94.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.18 -0.464 . . . . 5.14 111.151 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.2 p -144.99 -16.48 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 5.16 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.8 t 57.54 32.01 21.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.069 -0.514 . . . . 4.81 111.249 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.1 tt -81.27 131.66 33.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.422 -0.354 . . . . 5.67 111.221 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.2 t 58.84 104.68 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.902 -0.59 . . . . 4.88 111.301 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -123.33 -3.13 8.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.138 -0.483 . . . . 4.88 110.942 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.0 t -82.79 121.84 27.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 5.15 110.914 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -85.57 -44.32 12.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 7.09 111.025 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.96 135.38 52.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 7.57 110.934 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 m120 60.32 100.56 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.012 -0.54 . . . . 7.88 111.127 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -146.93 22.13 1.24 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 8.92 110.849 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -163.26 -32.47 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.165 -0.471 . . . . 12.27 111.075 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -142.82 136.8 29.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.3 0.572 . . . . 15.22 110.672 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -120.35 81.25 30.08 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.196 -0.911 . . . . 14.83 110.826 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -72.93 115.25 4.28 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.676 2.25 . . . . 13.53 112.061 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -104.22 155.72 36.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 15.96 110.551 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_endo -57.22 111.3 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.399 2.066 . . . . 17.3 112.305 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.0 p . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.234 -0.889 . . . . 18.27 111.335 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.763 0.316 . . . . 17.01 110.807 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.8 -179.3 5.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.241 -0.436 . . . . 16.09 111.13 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.474 ' N ' HD22 ' A' ' 3' ' ' LEU . 3.1 mm? -114.18 136.62 52.75 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.926 -0.579 . . . . 11.32 110.99 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -116.1 -59.87 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.127 -0.488 . . . . 12.01 110.552 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -104.47 126.56 51.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.027 -0.533 . . . . 7.51 110.784 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -163.35 -174.58 3.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.326 -0.397 . . . . 6.55 110.682 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.622 ' H ' HD12 ' A' ' 7' ' ' ILE . 4.4 mp -79.9 -11.65 12.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.039 0.447 . . . . 6.57 110.802 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.1 tp -88.26 -26.58 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.157 0.504 . . . . 6.66 110.601 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -105.31 -18.04 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.495 -0.775 . . . . 5.88 110.008 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.6 tp 56.3 92.69 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.542 -0.754 . . . . 5.82 111.259 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 47.39 37.95 6.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 8.73 111.532 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.4 m 65.39 121.73 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.149 -0.478 . . . . 5.83 111.473 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -81.4 110.04 16.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 4.78 110.748 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -56.54 113.24 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.914 -0.585 . . . . 5.69 111.153 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.9 p -88.08 155.33 19.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.013 -0.54 . . . . 4.48 110.68 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 t -110.55 -22.08 11.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 5.01 111.264 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t 61.18 175.07 0.11 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.159 -0.473 . . . . 5.14 111.129 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t -66.01 133.84 51.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.329 -0.396 . . . . 5.16 110.968 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.6 p -149.15 -0.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 4.81 111.038 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.5 mm 62.81 106.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.167 -0.469 . . . . 5.67 111.278 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.2 t -65.55 156.31 33.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 4.88 110.794 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.3 p -88.21 -56.48 3.3 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.21 -0.45 . . . . 4.88 111.158 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.9 p -85.45 129.94 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 5.15 110.898 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -165.3 -30.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 7.09 110.956 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -74.84 118.56 17.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 7.57 110.952 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -102.8 4.46 37.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 7.88 110.65 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -128.01 105.97 8.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.065 -0.516 . . . . 8.92 110.794 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -164.56 -34.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 12.27 110.971 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -62.54 -92.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 15.22 111.24 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.433 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 23.5 pt20 -148.36 52.97 1.32 Allowed Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.218 -0.447 . . . . 14.83 111.041 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 84.8 Cg_endo -81.28 1.58 9.19 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.378 2.052 . . . . 13.53 112.4 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -98.74 155.69 36.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 15.96 110.736 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -51.62 116.08 2.51 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.431 2.087 . . . . 17.3 112.379 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.417 ' H ' HG22 ' A' ' 35' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.099 -0.953 . . . . 18.27 111.274 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.789 0.328 . . . . 17.01 110.638 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -141.86 93.23 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 16.09 110.909 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.22 29.4 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 11.32 111.136 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -85.68 135.05 33.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.7 -0.682 . . . . 12.01 110.745 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 59.14 175.64 0.07 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.459 . . . . 7.51 110.956 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 3.3 t70 -169.98 -160.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 6.55 110.577 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.9 tt -120.22 -20.24 4.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 121.077 0.465 . . . . 6.57 111.043 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 tp -123.33 -9.88 8.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.785 -0.643 . . . . 6.66 111.409 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -138.53 17.18 2.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.408 -0.36 . . . . 5.88 110.892 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.435 ' HB3' ' O ' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -51.8 93.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.065 0.46 . . . . 5.82 111.134 179.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.24 -12.8 61.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.913 -0.585 . . . . 8.73 110.893 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.5 m 61.08 104.94 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.229 -0.441 . . . . 5.83 111.124 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -137.56 130.71 30.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 4.78 111.231 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.653 HG13 ' H ' ' A' ' 16' ' ' THR . 9.1 tp -152.11 139.3 13.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.07 -0.514 . . . . 5.69 110.855 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.5 m -94.74 23.78 5.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.307 -0.406 . . . . 4.48 111.271 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.653 ' H ' HG13 ' A' ' 14' ' ' ILE . 90.9 m -105.5 106.33 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 5.01 111.034 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.0 m -150.62 -179.72 7.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.997 -0.547 . . . . 5.14 110.782 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.0 p -70.58 -55.56 8.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 5.16 110.92 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.1 m -112.21 128.55 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 4.81 110.781 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.0 tp -126.59 144.84 35.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.201 -0.454 . . . . 5.67 110.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.2 t -66.03 145.15 56.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 4.88 110.939 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.3 p -138.23 125.87 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 4.88 110.833 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.1 p -104.4 -40.05 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 5.15 110.707 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -134.91 -179.5 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 7.09 110.856 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -82.13 117.74 22.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.09 -0.504 . . . . 7.57 110.839 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -141.77 18.11 2.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 7.88 110.751 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -107.62 25.88 10.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.22 -0.446 . . . . 8.92 111.041 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -166.26 -30.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.449 -0.342 . . . . 12.27 111.35 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -125.09 131.79 53.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.475 0.655 . . . . 15.22 110.333 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -121.42 73.83 30.6 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 114.904 -1.044 . . . . 14.83 110.949 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -89.28 -17.47 1.9 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.86 2.373 . . . . 13.53 112.294 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -97.19 158.11 33.81 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 15.96 111.02 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.83 105.47 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.429 2.086 . . . . 17.3 112.221 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.3 p . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.24 -0.886 . . . . 18.27 111.195 -179.796 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.776 0.322 . . . . 17.01 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -101.05 17.3 22.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 16.09 111.018 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.1 tp -147.71 21.57 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 11.32 110.822 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 9' ' ' ASN . 75.3 mmtt -94.92 6.86 47.85 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.861 -1.063 . . . . 12.01 110.655 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -112.85 19.15 17.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.947 -0.569 . . . . 7.51 110.714 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' 7' ' ' ILE . 8.1 t70 -71.79 -159.67 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.097 -0.501 . . . . 6.55 110.613 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.422 ' H ' ' CG ' ' A' ' 6' ' ' ASP . 8.5 mt -131.51 8.88 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.022 0.439 . . . . 6.57 111.035 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -114.03 -11.85 12.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.994 0.426 . . . . 6.66 111.028 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.571 HD21 ' HA ' ' A' ' 4' ' ' LYS . 29.1 p-10 -116.28 -28.66 6.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.984 -0.553 . . . . 5.88 110.816 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.3 tp -166.74 133.19 2.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 5.82 110.543 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -62.1 176.17 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 8.73 111.121 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.1 m -91.71 90.52 7.57 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 5.83 110.912 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -99.62 13.5 33.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.979 -0.555 . . . . 4.78 110.938 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.5 mm 61.32 104.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.141 -0.481 . . . . 5.69 111.207 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.2 t -70.89 151.74 44.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 4.48 110.834 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.5 p -97.33 2.97 51.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 5.01 111.088 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.7 t -93.22 118.37 31.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 5.14 110.81 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.9 p -156.95 -177.09 6.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 5.16 110.772 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.6 t -161.42 106.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.36 -0.382 . . . . 4.81 110.93 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.8 mt -85.83 139.01 18.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.074 -0.512 . . . . 5.67 110.772 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -63.16 -63.15 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 4.88 111.146 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.3 m -104.07 162.78 12.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 4.88 111.035 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 80.2 p -125.6 -0.8 7.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 5.15 110.964 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.84 172.17 13.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.449 . . . . 7.09 110.902 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -127.44 146.93 50.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 7.57 110.986 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -70.44 128.19 35.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 7.88 111.067 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -161.12 120.94 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 8.92 110.835 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.4 t80 66.84 5.02 3.74 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.055 -0.52 . . . . 12.27 110.785 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -131.09 87.65 2.5 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.94 -0.573 . . . . 15.22 110.73 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.584 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 48.4 mt-30 52.81 56.64 14.81 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 114.959 -1.019 . . . . 14.83 110.742 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.584 ' HD3' ' N ' ' A' ' 31' ' ' GLN . 4.1 Cg_exo -74.0 110.24 3.04 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.732 2.288 . . . . 13.53 112.538 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -123.02 149.72 57.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 15.96 110.552 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.81 117.38 4.07 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.472 2.115 . . . . 17.3 112.18 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.355 -0.831 . . . . 18.27 111.357 -179.843 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.775 0.321 . . . . 17.01 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? 57.47 -169.26 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.495 . . . . 16.09 111.185 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.1 tp -161.25 133.04 5.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.02 -0.536 . . . . 11.32 110.557 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -91.42 176.18 6.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.169 -0.469 . . . . 12.01 111.322 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -73.88 163.56 27.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.53 . . . . 7.51 111.551 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -145.7 -173.03 4.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.951 -0.568 . . . . 6.55 110.362 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mt -94.02 23.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.347 . . . . 6.57 111.044 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.3 mt -137.26 -7.1 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 6.66 111.138 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -138.12 19.46 2.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 5.88 111.246 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 10' ' ' LEU . 1.7 pp -79.43 10.92 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 5.82 111.158 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -82.61 -13.18 56.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.104 -0.498 . . . . 8.73 111.142 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.1 t -118.34 -36.31 3.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.32 -0.4 . . . . 5.83 111.258 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -120.71 118.0 28.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.375 . . . . 4.78 110.836 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.2 tp -158.61 126.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 5.69 111.092 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.0 m -157.78 148.99 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 4.48 110.801 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.4 m -148.4 84.61 1.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.336 -0.393 . . . . 5.01 111.4 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 48.8 m 54.09 19.11 1.96 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.021 -0.536 . . . . 5.14 111.415 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.3 p -74.87 -174.33 2.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 5.16 110.724 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.1 m -151.48 106.05 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 4.81 110.808 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 pt -131.36 15.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 5.67 111.222 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.2 t -56.95 105.28 0.2 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 4.88 110.871 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.1 m -88.93 -42.45 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 4.88 111.089 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.2 m -124.59 161.14 26.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.246 -0.434 . . . . 5.15 111.172 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -152.62 -52.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.008 -0.542 . . . . 7.09 110.467 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -127.98 126.54 41.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 7.57 110.784 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -83.91 144.8 28.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 7.88 111.09 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -150.18 124.93 9.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 8.92 111.047 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -168.38 -34.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.001 -0.545 . . . . 12.27 110.459 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -93.78 -145.39 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.498 -0.774 . . . . 15.22 110.333 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -116.83 84.08 15.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.506 0.193 . . . . 14.83 110.85 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 34.8 Cg_exo -59.96 174.03 1.51 Allowed 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.569 2.18 . . . . 13.53 112.369 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HB3' ' HD2' ' A' ' 34' ' ' PRO . 14.0 mptt 67.6 164.18 0.13 Allowed Pre-proline 0 N--CA 1.462 0.152 0 CA-C-N 115.836 -0.62 . . . . 15.96 110.2 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' ' 33' ' ' LYS . 51.0 Cg_exo -34.3 95.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.712 2.275 . . . . 17.3 112.188 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.549 -0.75 . . . . 18.27 111.758 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.716 0.293 . . . . 17.01 110.736 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm 58.98 -174.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 16.09 111.117 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.2 tp -163.8 132.62 3.8 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 11.32 110.767 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 1.7 mptp? -105.02 -55.9 2.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.319 -0.401 . . . . 12.01 111.103 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -128.35 -167.9 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 7.51 111.278 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 9' ' ' ASN . 23.8 m-20 -112.68 111.43 22.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 6.55 110.68 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 tt -63.77 -29.1 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 6.57 111.552 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 tp -157.56 -13.99 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.22 -0.446 . . . . 6.66 110.734 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 6' ' ' ASP . 6.4 m-80 -59.41 -34.6 72.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.826 -0.624 . . . . 5.88 110.146 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.8 tp -178.3 99.4 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.74 -0.664 . . . . 5.82 110.868 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mtm180 -75.86 116.33 16.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 8.73 110.855 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -143.22 -42.56 0.3 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.318 -0.401 . . . . 5.83 111.387 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t70 57.07 -92.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.331 -0.395 . . . . 4.78 111.145 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -136.86 -72.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.069 -0.514 . . . . 5.69 110.832 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.9 p -110.88 137.74 48.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 4.48 110.864 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.7 t -86.3 -17.03 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 5.01 111.118 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.1 m -109.7 166.51 10.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 5.14 111.041 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.4 p -87.06 -62.81 1.42 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.808 0.337 . . . . 5.16 111.077 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 55.8 m -153.82 126.16 8.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 4.81 110.933 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.5 mt 58.17 93.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.016 -0.538 . . . . 5.67 111.235 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -140.58 -50.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.476 . . . . 4.88 110.808 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.5 p -114.75 179.04 4.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.975 -0.557 . . . . 4.88 110.866 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.0 m 57.33 -169.14 0.11 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.979 -0.555 . . . . 5.15 111.072 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 57.71 95.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.098 -0.501 . . . . 7.09 110.984 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -60.21 137.11 58.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 7.57 110.712 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -144.56 11.49 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 7.88 111.325 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -72.61 85.32 1.17 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 8.92 110.892 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -174.54 -30.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.179 -0.464 . . . . 12.27 110.769 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.464 ' HB3' ' HD3' ' A' ' 32' ' ' PRO . 97.3 m95 -148.56 140.42 23.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.041 -0.527 . . . . 15.22 110.199 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.4 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 25.2 pt20 -134.51 55.04 13.14 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.688 -0.687 . . . . 14.83 111.25 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' ' 30' ' ' TRP . 87.5 Cg_endo -81.76 168.51 15.82 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.634 2.223 . . . . 13.53 112.301 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -76.98 152.26 82.35 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.418 . . . . 15.96 110.767 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.44 -11.61 17.39 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.47 2.114 . . . . 17.3 112.377 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.098 -0.953 . . . . 18.27 111.307 179.951 . . . . . . . . 0 0 . 1 stop_ save_