data_1s4h_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 1s4h _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.023 0.44 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -111.9 54.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t70 48.29 86.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -176.7 147.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.442 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 155.14 92.78 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.244 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -160.92 -163.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.658 0.266 . . . . 0.0 111.02 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.3 84.87 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.714 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.429 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 5.0 tt -174.49 -60.23 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.305 0.574 . . . . 0.0 109.758 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CE1' ' HA2' ' A' ' 8' ' ' GLY . 4.9 p90 -128.38 4.73 5.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.744 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.96 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.774 0.321 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 66.0 t0 -59.37 139.37 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 56.0 m-20 -56.72 89.36 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -175.66 146.87 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.446 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 159.09 92.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.389 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -161.32 -163.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.643 0.259 . . . . 0.0 111.047 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.07 85.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.721 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 5.0 tt -174.42 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.223 0.535 . . . . 0.0 109.68 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.446 ' CE1' ' HA2' ' A' ' 8' ' ' GLY . 4.6 p90 -130.59 6.0 4.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.702 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 p30 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.912 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.743 0.306 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 66.1 t0 -59.38 139.46 57.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 56.3 m-20 -56.78 89.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -175.43 147.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.443 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 157.5 94.3 0.1 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.342 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -161.19 -164.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.991 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.0 85.42 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.721 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.436 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 5.0 tt -174.84 -65.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.254 0.549 . . . . 0.0 109.727 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.443 ' CE1' ' HA2' ' A' ' 8' ' ' GLY . 4.7 p90 -121.82 -0.5 9.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.717 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.1 p30 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.278 -0.867 . . . . 0.0 111.009 -179.844 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -68.0 131.53 45.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -59.76 125.52 23.98 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -176.46 165.08 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.429 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 143.77 69.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.83 -146.84 0.19 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.453 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.49 -0.59 1.35 Allowed Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.529 -0.843 . . . . 0.0 114.429 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.56 -39.25 84.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.73 0.765 . . . . 0.0 110.255 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.429 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.3 19.96 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.325 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.5 p30 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.113 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.819 0.342 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.45 131.62 51.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.8 87.15 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -168.1 161.29 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.429 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.69 70.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.458 ' HD1' ' N ' ' A' ' 10' ' ' GLY . 7.8 p90 -154.82 -146.86 0.19 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.458 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.4 -0.66 1.33 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.531 -0.843 . . . . 0.0 114.413 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.61 -39.19 84.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 117.791 0.796 . . . . 0.0 110.225 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.429 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.31 19.9 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.378 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.133 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.865 0.364 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.45 131.6 51.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -59.79 87.01 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -167.93 161.31 12.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.43 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.63 70.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.459 ' HD1' ' N ' ' A' ' 10' ' ' GLY . 7.8 p90 -154.81 -146.79 0.19 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.448 -0.205 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.459 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.44 -0.64 1.34 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.481 -0.866 . . . . 0.0 114.435 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.63 -39.2 84.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.826 0.813 . . . . 0.0 110.242 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.28 19.83 1.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.353 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p30 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.148 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.802 0.334 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -60.38 131.71 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -59.94 87.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -167.9 161.33 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.428 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.62 70.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.481 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.459 ' HD1' ' N ' ' A' ' 10' ' ' GLY . 7.8 p90 -154.8 -146.9 0.2 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.459 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.34 -0.66 1.3 Allowed Glycine 0 CA--C 1.524 0.608 0 C-N-CA 120.549 -0.834 . . . . 0.0 114.435 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.51 -39.27 85.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.773 0.786 . . . . 0.0 110.337 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.34 19.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.373 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.121 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.767 0.318 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.42 131.63 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -59.82 87.02 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -167.85 161.34 13.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.428 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.65 70.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.54 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.458 ' HD1' ' N ' ' A' ' 10' ' ' GLY . 7.7 p90 -154.82 -146.86 0.19 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.458 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.45 -0.59 1.32 Allowed Glycine 0 CA--C 1.524 0.616 0 C-N-CA 120.589 -0.815 . . . . 0.0 114.416 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.61 -39.19 84.74 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.747 0.773 . . . . 0.0 110.274 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.37 20.01 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.355 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.129 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.56 127.01 29.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.73 94.56 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -176.49 153.31 1.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 162.33 71.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.88 -146.88 0.19 Allowed 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.459 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.41 -0.6 1.31 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.506 -179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.57 -39.26 84.9 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 117.742 0.771 . . . . 0.0 110.291 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.419 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.33 19.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.311 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.081 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.53 126.08 26.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -59.69 87.03 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -168.05 153.15 6.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.419 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 162.68 71.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.85 -146.83 0.19 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.458 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.49 -0.54 1.33 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.548 -0.834 . . . . 0.0 114.419 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.63 -39.25 84.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.716 0.758 . . . . 0.0 110.264 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.419 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.27 19.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.349 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 p30 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.197 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.23 135.82 57.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -61.42 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -157.63 140.61 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.94 82.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.43 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -138.7 -170.65 2.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 111.795 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.82 -26.04 74.86 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 114.523 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 87.4 mt -50.37 -28.07 7.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.146 0.473 . . . . 0.0 110.919 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.8 p90 -148.29 16.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.38 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.1 p30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.162 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.613 0.244 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -97.9 34.84 1.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.852 0.358 . . . . 0.0 110.698 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 t70 44.92 90.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.375 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -178.15 135.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.48 82.92 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.59 -171.51 3.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.085 0.469 . . . . 0.0 111.871 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.82 -21.78 78.11 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.618 -0.719 . . . . 0.0 114.492 -178.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -52.86 -32.56 45.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.226 0.513 . . . . 0.0 110.318 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.82 16.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.419 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.1 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.277 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.634 0.255 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -97.9 34.9 1.8 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.924 0.392 . . . . 0.0 110.745 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 t70 44.88 90.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.437 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -178.18 135.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.41 82.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.54 -171.37 2.97 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.034 0.445 . . . . 0.0 111.816 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.431 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.9 -21.89 78.24 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.638 -0.71 . . . . 0.0 114.407 -178.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -52.78 -32.49 43.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.24 0.52 . . . . 0.0 110.358 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.92 16.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.363 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.219 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.57 135.57 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -63.35 81.58 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.56 140.71 30.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.98 82.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.94 -171.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.954 0.407 . . . . 0.0 111.854 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.427 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.42 -22.21 77.65 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.634 -0.712 . . . . 0.0 114.428 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -53.0 -32.45 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.229 0.514 . . . . 0.0 110.28 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.8 p90 -143.52 16.16 1.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.401 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.427 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 59.0 p-10 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.203 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.57 135.58 57.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.695 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.45 81.62 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.071 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.61 140.74 30.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.96 83.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.95 -171.32 2.98 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.038 0.446 . . . . 0.0 111.803 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.46 -22.22 77.7 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.598 -0.728 . . . . 0.0 114.4 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -52.92 -32.51 45.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.299 0.549 . . . . 0.0 110.396 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.49 16.27 1.83 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.421 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.424 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 59.0 p-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.219 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.741 0.305 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.62 135.54 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -63.24 81.5 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.61 140.64 30.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.96 83.04 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.86 -171.32 2.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.022 0.439 . . . . 0.0 111.845 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.38 -22.25 77.61 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.668 -0.696 . . . . 0.0 114.467 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -52.97 -32.49 46.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.206 0.503 . . . . 0.0 110.357 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.46 16.18 1.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.398 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 59.0 p-10 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.225 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.5 135.5 57.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.737 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.29 81.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.66 140.66 30.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.98 82.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.533 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.85 -171.4 3.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.003 0.43 . . . . 0.0 111.882 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.36 -22.22 77.57 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.642 -0.708 . . . . 0.0 114.456 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -53.04 -32.38 46.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.239 0.519 . . . . 0.0 110.37 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.47 16.19 1.84 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.463 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.424 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 59.0 p30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.223 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.57 135.63 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.694 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -63.41 81.63 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.024 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.69 140.71 30.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.99 82.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.87 -171.3 2.97 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.975 0.417 . . . . 0.0 111.872 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.41 -22.25 77.65 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 114.508 -178.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -52.86 -32.54 45.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.232 0.516 . . . . 0.0 110.353 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.54 16.36 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.399 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 59.0 p-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.204 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.748 0.308 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.56 135.64 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.715 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.4 81.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.63 140.71 30.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.03 82.98 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.87 -171.27 2.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.05 0.452 . . . . 0.0 111.855 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.48 -22.22 77.73 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.644 -0.707 . . . . 0.0 114.419 -178.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -52.95 -32.38 45.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.276 0.538 . . . . 0.0 110.421 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.63 16.26 1.81 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.385 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 59.0 p-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.5 135.58 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.73 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -63.42 81.57 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.014 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.62 140.64 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.99 82.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.89 -171.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.013 0.435 . . . . 0.0 111.844 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.43 -22.21 77.66 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.619 -0.718 . . . . 0.0 114.449 -178.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -53.06 -32.39 46.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.287 0.544 . . . . 0.0 110.291 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.51 16.27 1.83 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.384 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 58.9 p30 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.818 0.342 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -85.7 118.35 25.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.06 31.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -96.11 44.04 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.727 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -111.9 54.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t70 48.29 86.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -176.7 147.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 155.14 92.78 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.244 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -160.92 -163.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.658 0.266 . . . . 0.0 111.02 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.3 84.87 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.714 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 5.0 tt -174.49 -60.23 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.305 0.574 . . . . 0.0 109.758 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.442 ' CE1' ' HA2' ' A' ' 8' ' ' GLY . 4.9 p90 -128.38 4.73 5.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.744 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.96 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.844 0.354 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -134.16 -177.82 4.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.63 77.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.12 -29.18 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 66.0 t0 -59.37 139.37 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 56.0 m-20 -56.72 89.36 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -175.66 146.87 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.446 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 159.09 92.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.389 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -161.32 -163.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.643 0.259 . . . . 0.0 111.047 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.07 85.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.721 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 5.0 tt -174.42 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.223 0.535 . . . . 0.0 109.68 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.446 ' CE1' ' HA2' ' A' ' 8' ' ' GLY . 4.6 p90 -130.59 6.0 4.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.702 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 p30 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.912 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.829 0.347 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -133.71 -177.59 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.741 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.63 77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.02 -29.23 63.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 66.1 t0 -59.38 139.46 57.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 56.3 m-20 -56.78 89.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -175.43 147.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 157.5 94.3 0.1 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.342 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -161.19 -164.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.991 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.0 85.42 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.721 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' C ' ' CD2' ' A' ' 11' ' ' LEU . 5.0 tt -174.84 -65.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.254 0.549 . . . . 0.0 109.727 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.443 ' CE1' ' HA2' ' A' ' 8' ' ' GLY . 4.7 p90 -121.82 -0.5 9.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.717 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.1 p30 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.278 -0.867 . . . . 0.0 111.009 -179.844 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.833 0.349 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -134.1 -178.51 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.788 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.33 72.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.35 -30.92 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -68.0 131.53 45.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -59.76 125.52 23.98 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -176.46 165.08 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.429 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 143.77 69.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.83 -146.84 0.19 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.453 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.49 -0.59 1.35 Allowed Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.529 -0.843 . . . . 0.0 114.429 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.56 -39.25 84.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.73 0.765 . . . . 0.0 110.255 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.429 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.3 19.96 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.325 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.5 p30 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.113 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.808 0.337 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.2 mp0 -133.95 -177.61 4.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.716 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.26 72.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.28 -30.98 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.45 131.62 51.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.8 87.15 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -168.1 161.29 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.429 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.69 70.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.458 ' HD1' ' N ' ' A' ' 10' ' ' GLY . 7.8 p90 -154.82 -146.86 0.19 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.4 -0.66 1.33 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.531 -0.843 . . . . 0.0 114.413 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.61 -39.19 84.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 117.791 0.796 . . . . 0.0 110.225 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.429 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.31 19.9 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.378 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.133 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.86 0.362 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -133.5 178.74 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.32 72.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.31 -30.86 69.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.45 131.6 51.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -59.79 87.01 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -167.93 161.31 12.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.43 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.63 70.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.459 ' HD1' ' N ' ' A' ' 10' ' ' GLY . 7.8 p90 -154.81 -146.79 0.19 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.448 -0.205 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.459 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.44 -0.64 1.34 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.481 -0.866 . . . . 0.0 114.435 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.63 -39.2 84.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.826 0.813 . . . . 0.0 110.242 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.43 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.28 19.83 1.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.353 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p30 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.148 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -133.51 -177.82 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.775 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.27 72.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.31 -30.98 69.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -60.38 131.71 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -59.94 87.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -167.9 161.33 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.62 70.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.481 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.459 ' HD1' ' N ' ' A' ' 10' ' ' GLY . 7.8 p90 -154.8 -146.9 0.2 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.459 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.34 -0.66 1.3 Allowed Glycine 0 CA--C 1.524 0.608 0 C-N-CA 120.549 -0.834 . . . . 0.0 114.435 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.51 -39.27 85.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.773 0.786 . . . . 0.0 110.337 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.34 19.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.373 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.121 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.913 0.387 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -133.77 -178.47 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.774 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.27 72.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.37 -30.97 69.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.79 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.42 131.63 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -59.82 87.02 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -167.85 161.34 13.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.65 70.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.54 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.458 ' HD1' ' N ' ' A' ' 10' ' ' GLY . 7.7 p90 -154.82 -146.86 0.19 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.45 -0.59 1.32 Allowed Glycine 0 CA--C 1.524 0.616 0 C-N-CA 120.589 -0.815 . . . . 0.0 114.416 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.61 -39.19 84.74 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.747 0.773 . . . . 0.0 110.274 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.428 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.37 20.01 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.355 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.129 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.813 0.339 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -134.13 -177.58 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.801 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.29 72.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.32 -30.93 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.56 127.01 29.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.73 94.56 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -176.49 153.31 1.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 162.33 71.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.88 -146.88 0.19 Allowed 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.459 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.41 -0.6 1.31 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.506 -179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.57 -39.26 84.9 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 117.742 0.771 . . . . 0.0 110.291 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.419 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.33 19.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.311 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.081 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.882 0.372 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -133.93 -178.34 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.32 72.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.29 -30.99 69.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.53 126.08 26.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -59.69 87.03 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -168.05 153.15 6.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.419 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 162.68 71.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.85 -146.83 0.19 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.49 -0.54 1.33 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.548 -0.834 . . . . 0.0 114.419 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 5.2 tt -67.63 -39.25 84.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.716 0.758 . . . . 0.0 110.264 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.419 ' CZ ' ' HA2' ' A' ' 8' ' ' GLY . 2.4 p90 -146.27 19.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.349 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 p30 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.197 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -133.6 178.62 6.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.761 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.53 77.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.87 -28.9 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.23 135.82 57.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -61.42 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -157.63 140.61 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.94 82.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.43 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -138.7 -170.65 2.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 111.795 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.82 -26.04 74.86 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 114.523 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 87.4 mt -50.37 -28.07 7.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.146 0.473 . . . . 0.0 110.919 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.8 p90 -148.29 16.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.38 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.1 p30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.162 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -133.92 -177.68 4.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.2 107.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.76 -17.12 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.183 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -97.9 34.84 1.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.852 0.358 . . . . 0.0 110.698 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 t70 44.92 90.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.375 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -178.15 135.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.48 82.92 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.59 -171.51 3.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.085 0.469 . . . . 0.0 111.871 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.82 -21.78 78.11 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.618 -0.719 . . . . 0.0 114.492 -178.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -52.86 -32.56 45.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.226 0.513 . . . . 0.0 110.318 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.82 16.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.419 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.1 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.277 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.827 0.346 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -133.46 -177.82 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.78 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.21 107.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.72 -17.12 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -97.9 34.9 1.8 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.924 0.392 . . . . 0.0 110.745 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 t70 44.88 90.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.437 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -178.18 135.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.41 82.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.54 -171.37 2.97 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.034 0.445 . . . . 0.0 111.816 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.431 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.9 -21.89 78.24 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.638 -0.71 . . . . 0.0 114.407 -178.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -52.78 -32.49 43.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.24 0.52 . . . . 0.0 110.358 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.92 16.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.363 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.219 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.809 0.338 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -85.42 173.64 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.789 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.5 75.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.32 -29.56 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.57 135.57 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -63.35 81.58 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.56 140.71 30.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.98 82.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.94 -171.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.954 0.407 . . . . 0.0 111.854 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.42 -22.21 77.65 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.634 -0.712 . . . . 0.0 114.428 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -53.0 -32.45 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.229 0.514 . . . . 0.0 110.28 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.8 p90 -143.52 16.16 1.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.401 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.427 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 59.0 p-10 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.203 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -133.4 171.99 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.51 75.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.36 -29.55 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.57 135.58 57.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.695 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.45 81.62 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.071 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.61 140.74 30.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.96 83.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.95 -171.32 2.98 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.038 0.446 . . . . 0.0 111.803 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.46 -22.22 77.7 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.598 -0.728 . . . . 0.0 114.4 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -52.92 -32.51 45.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.299 0.549 . . . . 0.0 110.396 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.49 16.27 1.83 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.421 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.424 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 59.0 p-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.219 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.7 mp0 -133.62 172.76 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.5 75.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.34 -29.59 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.62 135.54 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -63.24 81.5 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.61 140.64 30.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.96 83.04 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.86 -171.32 2.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.022 0.439 . . . . 0.0 111.845 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.38 -22.25 77.61 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.668 -0.696 . . . . 0.0 114.467 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -52.97 -32.49 46.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.206 0.503 . . . . 0.0 110.357 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.46 16.18 1.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.398 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 59.0 p-10 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.225 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.789 0.328 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -134.04 171.61 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.807 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.52 75.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.4 -29.55 66.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.5 135.5 57.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.737 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.29 81.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.66 140.66 30.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.98 82.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.533 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.85 -171.4 3.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.003 0.43 . . . . 0.0 111.882 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.36 -22.22 77.57 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.642 -0.708 . . . . 0.0 114.456 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -53.04 -32.38 46.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.239 0.519 . . . . 0.0 110.37 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.47 16.19 1.84 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.463 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.424 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 59.0 p30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.223 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.863 0.363 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.2 mp0 -133.69 171.58 13.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.736 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.51 75.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.37 -29.54 66.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.57 135.63 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.694 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -63.41 81.63 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.024 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.69 140.71 30.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.99 82.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.87 -171.3 2.97 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.975 0.417 . . . . 0.0 111.872 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.41 -22.25 77.65 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 114.508 -178.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -52.86 -32.54 45.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.232 0.516 . . . . 0.0 110.353 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.54 16.36 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.399 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 59.0 p-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.204 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.817 0.341 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -100.94 167.78 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.56 75.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.37 -29.61 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.56 135.64 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.715 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.4 81.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.63 140.71 30.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.03 82.98 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.87 -171.27 2.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.05 0.452 . . . . 0.0 111.855 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.48 -22.22 77.73 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.644 -0.707 . . . . 0.0 114.419 -178.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -52.95 -32.38 45.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.276 0.538 . . . . 0.0 110.421 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.63 16.26 1.81 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.385 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 59.0 p-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.846 0.355 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -133.56 174.14 10.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.78 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.53 75.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.35 -29.57 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.5 135.58 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.73 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -63.42 81.57 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.014 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.62 140.64 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.99 82.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.89 -171.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.013 0.435 . . . . 0.0 111.844 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.43 -22.21 77.66 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.619 -0.718 . . . . 0.0 114.449 -178.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 9' ' ' PHE . 5.7 tt -53.06 -32.39 46.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.287 0.544 . . . . 0.0 110.291 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.51 16.27 1.83 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.384 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB3' ' HA2' ' A' ' 10' ' ' GLY . 58.9 p30 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.023 0.44 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -111.9 54.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t70 48.29 86.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -176.7 147.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.45 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 155.14 92.78 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.244 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -160.92 -163.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.658 0.266 . . . . 0.0 111.02 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.3 84.87 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.714 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.613 ' C ' HD23 ' A' ' 11' ' ' LEU . 5.0 tt -174.49 -60.23 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.305 0.574 . . . . 0.0 109.758 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HD2' HD22 ' A' ' 11' ' ' LEU . 4.9 p90 -128.38 4.73 5.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.744 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.96 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.774 0.321 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 66.0 t0 -59.37 139.37 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 56.0 m-20 -56.72 89.36 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -175.66 146.87 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 159.09 92.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.389 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -161.32 -163.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.643 0.259 . . . . 0.0 111.047 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.07 85.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.721 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.615 ' C ' HD23 ' A' ' 11' ' ' LEU . 5.0 tt -174.42 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.223 0.535 . . . . 0.0 109.68 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.485 ' HD2' HD22 ' A' ' 11' ' ' LEU . 4.6 p90 -130.59 6.0 4.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.702 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 p30 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.912 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.743 0.306 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 66.1 t0 -59.38 139.46 57.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 56.3 m-20 -56.78 89.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -175.43 147.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.452 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 157.5 94.3 0.1 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.342 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -161.19 -164.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.991 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.0 85.42 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.721 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.615 ' C ' HD23 ' A' ' 11' ' ' LEU . 5.0 tt -174.84 -65.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.254 0.549 . . . . 0.0 109.727 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CE1' ' HA2' ' A' ' 8' ' ' GLY . 4.7 p90 -121.82 -0.5 9.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.717 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.1 p30 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.278 -0.867 . . . . 0.0 111.009 -179.844 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -68.0 131.53 45.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -59.76 125.52 23.98 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -176.46 165.08 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 143.77 69.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.83 -146.84 0.19 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.459 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.49 -0.59 1.35 Allowed Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.529 -0.843 . . . . 0.0 114.429 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.56 -39.25 84.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.73 0.765 . . . . 0.0 110.255 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.3 19.96 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.325 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.5 p30 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.113 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.819 0.342 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.45 131.62 51.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.8 87.15 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -168.1 161.29 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.69 70.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.82 -146.86 0.19 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.4 -0.66 1.33 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.531 -0.843 . . . . 0.0 114.413 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.773 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.61 -39.19 84.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 117.791 0.796 . . . . 0.0 110.225 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.47 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.31 19.9 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.378 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.133 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.865 0.364 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.45 131.6 51.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -59.79 87.01 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -167.93 161.31 12.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.63 70.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.81 -146.79 0.19 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.448 -0.205 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.464 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.44 -0.64 1.34 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.481 -0.866 . . . . 0.0 114.435 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.775 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.63 -39.2 84.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.826 0.813 . . . . 0.0 110.242 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.47 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.28 19.83 1.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.353 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p30 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.148 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.802 0.334 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -60.38 131.71 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -59.94 87.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -167.9 161.33 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.62 70.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.481 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.8 -146.9 0.2 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.34 -0.66 1.3 Allowed Glycine 0 CA--C 1.524 0.608 0 C-N-CA 120.549 -0.834 . . . . 0.0 114.435 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.51 -39.27 85.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.773 0.786 . . . . 0.0 110.337 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.471 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.34 19.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.373 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.121 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.767 0.318 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.42 131.63 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -59.82 87.02 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -167.85 161.34 13.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.65 70.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.54 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.82 -146.86 0.19 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.45 -0.59 1.32 Allowed Glycine 0 CA--C 1.524 0.616 0 C-N-CA 120.589 -0.815 . . . . 0.0 114.416 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.773 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.61 -39.19 84.74 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.747 0.773 . . . . 0.0 110.274 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.469 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.37 20.01 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.355 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.129 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.56 127.01 29.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.73 94.56 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -176.49 153.31 1.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 162.33 71.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.88 -146.88 0.19 Allowed 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.41 -0.6 1.31 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.506 -179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.769 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.57 -39.26 84.9 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 117.742 0.771 . . . . 0.0 110.291 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.462 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.33 19.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.311 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.081 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.53 126.08 26.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -59.69 87.03 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -168.05 153.15 6.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.43 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 162.68 71.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.85 -146.83 0.19 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.49 -0.54 1.33 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.548 -0.834 . . . . 0.0 114.419 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.768 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.63 -39.25 84.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.716 0.758 . . . . 0.0 110.264 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.27 19.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.349 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 p30 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.197 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.23 135.82 57.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -61.42 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -157.63 140.61 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.94 82.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.43 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -138.7 -170.65 2.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 111.795 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.82 -26.04 74.86 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 114.523 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 87.4 mt -50.37 -28.07 7.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.146 0.473 . . . . 0.0 110.919 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.8 p90 -148.29 16.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.38 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.1 p30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.162 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.613 0.244 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -97.9 34.84 1.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.852 0.358 . . . . 0.0 110.698 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 t70 44.92 90.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.375 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -178.15 135.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.48 82.92 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.59 -171.51 3.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.085 0.469 . . . . 0.0 111.871 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.82 -21.78 78.11 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.618 -0.719 . . . . 0.0 114.492 -178.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.843 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.86 -32.56 45.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.226 0.513 . . . . 0.0 110.318 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.82 16.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.419 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.1 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.277 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.634 0.255 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -97.9 34.9 1.8 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.924 0.392 . . . . 0.0 110.745 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 t70 44.88 90.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.437 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -178.18 135.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.41 82.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.54 -171.37 2.97 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.034 0.445 . . . . 0.0 111.816 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.9 -21.89 78.24 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.638 -0.71 . . . . 0.0 114.407 -178.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.843 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.78 -32.49 43.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.24 0.52 . . . . 0.0 110.358 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.92 16.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.363 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.219 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.57 135.57 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -63.35 81.58 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.56 140.71 30.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.98 82.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.94 -171.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.954 0.407 . . . . 0.0 111.854 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.42 -22.21 77.65 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.634 -0.712 . . . . 0.0 114.428 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -53.0 -32.45 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.229 0.514 . . . . 0.0 110.28 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.8 p90 -143.52 16.16 1.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.401 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.203 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.57 135.58 57.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.695 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.45 81.62 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.071 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.61 140.74 30.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.96 83.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.95 -171.32 2.98 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.038 0.446 . . . . 0.0 111.803 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.46 -22.22 77.7 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.598 -0.728 . . . . 0.0 114.4 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.92 -32.51 45.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.299 0.549 . . . . 0.0 110.396 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.49 16.27 1.83 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.421 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.219 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.741 0.305 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.62 135.54 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -63.24 81.5 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.61 140.64 30.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.96 83.04 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.86 -171.32 2.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.022 0.439 . . . . 0.0 111.845 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.38 -22.25 77.61 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.668 -0.696 . . . . 0.0 114.467 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.97 -32.49 46.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.206 0.503 . . . . 0.0 110.357 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.46 16.18 1.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.398 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.225 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.5 135.5 57.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.737 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.29 81.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.66 140.66 30.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.98 82.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.533 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.85 -171.4 3.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.003 0.43 . . . . 0.0 111.882 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.36 -22.22 77.57 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.642 -0.708 . . . . 0.0 114.456 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -53.04 -32.38 46.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.239 0.519 . . . . 0.0 110.37 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.47 16.19 1.84 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.463 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.223 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.57 135.63 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.694 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -63.41 81.63 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.024 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.69 140.71 30.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.99 82.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.87 -171.3 2.97 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.975 0.417 . . . . 0.0 111.872 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.41 -22.25 77.65 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 114.508 -178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.862 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.86 -32.54 45.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.232 0.516 . . . . 0.0 110.353 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.54 16.36 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.399 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.204 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.748 0.308 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.56 135.64 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.715 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.4 81.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.63 140.71 30.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.03 82.98 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.87 -171.27 2.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.05 0.452 . . . . 0.0 111.855 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.48 -22.22 77.73 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.644 -0.707 . . . . 0.0 114.419 -178.183 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.95 -32.38 45.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.276 0.538 . . . . 0.0 110.421 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.63 16.26 1.81 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.385 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.5 135.58 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.73 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -63.42 81.57 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.014 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.62 140.64 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.99 82.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.89 -171.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.013 0.435 . . . . 0.0 111.844 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.43 -22.21 77.66 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.619 -0.718 . . . . 0.0 114.449 -178.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.86 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -53.06 -32.39 46.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.287 0.544 . . . . 0.0 110.291 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.51 16.27 1.83 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.384 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 58.9 p30 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.818 0.342 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -85.7 118.35 25.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.648 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -162.06 31.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -96.11 44.04 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.727 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -111.9 54.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t70 48.29 86.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.648 ' HE3' ' HB1' ' A' ' 3' ' ' ALA . 26.3 ptt? -176.7 147.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.45 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 155.14 92.78 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.244 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -160.92 -163.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.658 0.266 . . . . 0.0 111.02 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.3 84.87 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.714 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.613 ' C ' HD23 ' A' ' 11' ' ' LEU . 5.0 tt -174.49 -60.23 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.305 0.574 . . . . 0.0 109.758 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HD2' HD22 ' A' ' 11' ' ' LEU . 4.9 p90 -128.38 4.73 5.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.744 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.96 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.844 0.354 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -134.16 -177.82 4.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.63 77.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.12 -29.18 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 66.0 t0 -59.37 139.37 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 56.0 m-20 -56.72 89.36 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -175.66 146.87 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 159.09 92.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.389 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -161.32 -163.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.643 0.259 . . . . 0.0 111.047 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.07 85.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.721 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.615 ' C ' HD23 ' A' ' 11' ' ' LEU . 5.0 tt -174.42 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.223 0.535 . . . . 0.0 109.68 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' HD2' HD22 ' A' ' 11' ' ' LEU . 4.6 p90 -130.59 6.0 4.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.702 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 p30 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.912 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.829 0.347 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -133.71 -177.59 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.741 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.63 77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.02 -29.23 63.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 66.1 t0 -59.38 139.46 57.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 56.3 m-20 -56.78 89.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -175.43 147.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.452 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 157.5 94.3 0.1 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.342 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -161.19 -164.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.991 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.0 85.42 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.721 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.615 ' C ' HD23 ' A' ' 11' ' ' LEU . 5.0 tt -174.84 -65.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.254 0.549 . . . . 0.0 109.727 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CE1' ' HA2' ' A' ' 8' ' ' GLY . 4.7 p90 -121.82 -0.5 9.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.717 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.1 p30 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.278 -0.867 . . . . 0.0 111.009 -179.844 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.833 0.349 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -134.1 -178.51 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.788 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.691 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -175.33 72.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.35 -30.92 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -68.0 131.53 45.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -59.76 125.52 23.98 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.691 ' CE ' ' HB1' ' A' ' 3' ' ' ALA . 27.1 ptt? -176.46 165.08 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 143.77 69.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.83 -146.84 0.19 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.459 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.49 -0.59 1.35 Allowed Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.529 -0.843 . . . . 0.0 114.429 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.56 -39.25 84.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.73 0.765 . . . . 0.0 110.255 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.3 19.96 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.325 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.5 p30 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.113 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.808 0.337 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.2 mp0 -133.95 -177.61 4.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.716 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.26 72.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.28 -30.98 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.45 131.62 51.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.8 87.15 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -168.1 161.29 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.69 70.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.82 -146.86 0.19 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.4 -0.66 1.33 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.531 -0.843 . . . . 0.0 114.413 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.773 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.61 -39.19 84.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 117.791 0.796 . . . . 0.0 110.225 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.47 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.31 19.9 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.378 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.133 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.86 0.362 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -133.5 178.74 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.32 72.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.31 -30.86 69.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.45 131.6 51.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -59.79 87.01 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -167.93 161.31 12.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.63 70.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.81 -146.79 0.19 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.448 -0.205 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.464 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.44 -0.64 1.34 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.481 -0.866 . . . . 0.0 114.435 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.775 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.63 -39.2 84.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.826 0.813 . . . . 0.0 110.242 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.47 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.28 19.83 1.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.353 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p30 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.148 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -133.51 -177.82 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.775 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.27 72.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.31 -30.98 69.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -60.38 131.71 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -59.94 87.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -167.9 161.33 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.62 70.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.481 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.8 -146.9 0.2 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.34 -0.66 1.3 Allowed Glycine 0 CA--C 1.524 0.608 0 C-N-CA 120.549 -0.834 . . . . 0.0 114.435 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.51 -39.27 85.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.773 0.786 . . . . 0.0 110.337 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.471 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.34 19.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.373 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.121 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.913 0.387 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -133.77 -178.47 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.774 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.27 72.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.37 -30.97 69.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.79 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.42 131.63 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -59.82 87.02 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -167.85 161.34 13.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.65 70.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.54 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.82 -146.86 0.19 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.45 -0.59 1.32 Allowed Glycine 0 CA--C 1.524 0.616 0 C-N-CA 120.589 -0.815 . . . . 0.0 114.416 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.773 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.61 -39.19 84.74 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.747 0.773 . . . . 0.0 110.274 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.469 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.37 20.01 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.355 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.129 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.813 0.339 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -134.13 -177.58 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.801 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.29 72.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.32 -30.93 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.56 127.01 29.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.73 94.56 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -176.49 153.31 1.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 162.33 71.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.88 -146.88 0.19 Allowed 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.41 -0.6 1.31 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.506 -179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.769 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.57 -39.26 84.9 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 117.742 0.771 . . . . 0.0 110.291 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.462 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.33 19.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.311 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.081 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.882 0.372 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -133.93 -178.34 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.32 72.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.29 -30.99 69.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.53 126.08 26.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -59.69 87.03 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -168.05 153.15 6.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.43 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 162.68 71.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.85 -146.83 0.19 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.49 -0.54 1.33 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.548 -0.834 . . . . 0.0 114.419 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.768 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.63 -39.25 84.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.716 0.758 . . . . 0.0 110.264 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.27 19.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.349 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 p30 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.197 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -133.6 178.62 6.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.761 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.53 77.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.87 -28.9 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.23 135.82 57.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -61.42 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -157.63 140.61 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.94 82.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.43 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -138.7 -170.65 2.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 111.795 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.82 -26.04 74.86 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 114.523 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 87.4 mt -50.37 -28.07 7.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.146 0.473 . . . . 0.0 110.919 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.8 p90 -148.29 16.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.38 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.1 p30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.162 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -133.92 -177.68 4.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.54 ' HB1' ' HG2' ' A' ' 7' ' ' MET . . . -175.2 107.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.76 -17.12 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.183 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -97.9 34.84 1.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.852 0.358 . . . . 0.0 110.698 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 t70 44.92 90.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.375 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.54 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 27.0 ptt? -178.15 135.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.48 82.92 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.59 -171.51 3.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.085 0.469 . . . . 0.0 111.871 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.82 -21.78 78.11 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.618 -0.719 . . . . 0.0 114.492 -178.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.843 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.86 -32.56 45.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.226 0.513 . . . . 0.0 110.318 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.82 16.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.419 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.1 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.277 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.827 0.346 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -133.46 -177.82 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.78 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.541 ' HB1' ' HG2' ' A' ' 7' ' ' MET . . . -175.21 107.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.72 -17.12 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -97.9 34.9 1.8 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.924 0.392 . . . . 0.0 110.745 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 t70 44.88 90.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.437 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.541 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 26.9 ptt? -178.18 135.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.41 82.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.54 -171.37 2.97 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.034 0.445 . . . . 0.0 111.816 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.9 -21.89 78.24 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.638 -0.71 . . . . 0.0 114.407 -178.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.843 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.78 -32.49 43.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.24 0.52 . . . . 0.0 110.358 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.92 16.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.363 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.219 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.809 0.338 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -85.42 173.64 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.789 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.726 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.5 75.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.32 -29.56 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.57 135.57 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -63.35 81.58 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.726 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.56 140.71 30.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.98 82.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.94 -171.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.954 0.407 . . . . 0.0 111.854 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.42 -22.21 77.65 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.634 -0.712 . . . . 0.0 114.428 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -53.0 -32.45 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.229 0.514 . . . . 0.0 110.28 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.8 p90 -143.52 16.16 1.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.401 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.203 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -133.4 171.99 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.726 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.51 75.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.36 -29.55 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.57 135.58 57.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.695 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.45 81.62 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.071 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.726 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.61 140.74 30.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.96 83.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.95 -171.32 2.98 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.038 0.446 . . . . 0.0 111.803 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.46 -22.22 77.7 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.598 -0.728 . . . . 0.0 114.4 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.92 -32.51 45.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.299 0.549 . . . . 0.0 110.396 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.49 16.27 1.83 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.421 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.219 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.7 mp0 -133.62 172.76 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.726 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.5 75.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.34 -29.59 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.62 135.54 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -63.24 81.5 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.726 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.61 140.64 30.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.96 83.04 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.86 -171.32 2.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.022 0.439 . . . . 0.0 111.845 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.38 -22.25 77.61 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.668 -0.696 . . . . 0.0 114.467 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.97 -32.49 46.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.206 0.503 . . . . 0.0 110.357 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.46 16.18 1.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.398 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.225 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.789 0.328 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -134.04 171.61 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.807 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.755 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.52 75.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.4 -29.55 66.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.5 135.5 57.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.737 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.29 81.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.755 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.66 140.66 30.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.98 82.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.533 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.85 -171.4 3.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.003 0.43 . . . . 0.0 111.882 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.36 -22.22 77.57 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.642 -0.708 . . . . 0.0 114.456 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -53.04 -32.38 46.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.239 0.519 . . . . 0.0 110.37 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.47 16.19 1.84 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.463 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.223 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.863 0.363 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.2 mp0 -133.69 171.58 13.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.736 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.727 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.51 75.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.37 -29.54 66.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.57 135.63 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.694 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -63.41 81.63 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.024 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.727 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.69 140.71 30.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.99 82.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.87 -171.3 2.97 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.975 0.417 . . . . 0.0 111.872 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.41 -22.25 77.65 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 114.508 -178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.862 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.86 -32.54 45.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.232 0.516 . . . . 0.0 110.353 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.54 16.36 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.399 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.204 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.817 0.341 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -100.94 167.78 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.755 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.56 75.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.37 -29.61 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.56 135.64 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.715 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.4 81.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.755 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.63 140.71 30.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.03 82.98 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.87 -171.27 2.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.05 0.452 . . . . 0.0 111.855 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.48 -22.22 77.73 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.644 -0.707 . . . . 0.0 114.419 -178.183 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.95 -32.38 45.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.276 0.538 . . . . 0.0 110.421 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.63 16.26 1.81 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.385 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.846 0.355 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -133.56 174.14 10.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.78 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.728 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.53 75.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.35 -29.57 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.5 135.58 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.73 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -63.42 81.57 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.014 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.728 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.62 140.64 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.99 82.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.89 -171.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.013 0.435 . . . . 0.0 111.844 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.43 -22.21 77.66 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.619 -0.718 . . . . 0.0 114.449 -178.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.86 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -53.06 -32.39 46.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.287 0.544 . . . . 0.0 110.291 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.51 16.27 1.83 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.384 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 58.9 p30 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.5 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.023 0.44 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -111.9 54.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t70 48.29 86.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -176.7 147.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.45 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 155.14 92.78 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.244 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -160.92 -163.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.658 0.266 . . . . 0.0 111.02 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.3 84.87 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.714 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.613 HD23 ' C ' ' A' ' 11' ' ' LEU . 5.0 tt -174.49 -60.23 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.305 0.574 . . . . 0.0 109.758 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HD2' HD22 ' A' ' 11' ' ' LEU . 4.9 p90 -128.38 4.73 5.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.744 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.96 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.774 0.321 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 66.0 t0 -59.37 139.37 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 56.0 m-20 -56.72 89.36 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -175.66 146.87 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.457 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 159.09 92.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.389 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -161.32 -163.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.643 0.259 . . . . 0.0 111.047 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.07 85.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.721 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.615 HD23 ' C ' ' A' ' 11' ' ' LEU . 5.0 tt -174.42 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.223 0.535 . . . . 0.0 109.68 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.485 ' HD2' HD22 ' A' ' 11' ' ' LEU . 4.6 p90 -130.59 6.0 4.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.702 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 p30 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.912 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.743 0.306 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 66.1 t0 -59.38 139.46 57.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 56.3 m-20 -56.78 89.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -175.43 147.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.452 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 157.5 94.3 0.1 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.342 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -161.19 -164.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.991 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.0 85.42 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.721 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.615 HD23 ' C ' ' A' ' 11' ' ' LEU . 5.0 tt -174.84 -65.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.254 0.549 . . . . 0.0 109.727 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CE1' ' HA2' ' A' ' 8' ' ' GLY . 4.7 p90 -121.82 -0.5 9.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.717 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.1 p30 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.278 -0.867 . . . . 0.0 111.009 -179.844 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -68.0 131.53 45.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -59.76 125.52 23.98 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -176.46 165.08 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 143.77 69.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.83 -146.84 0.19 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.459 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.49 -0.59 1.35 Allowed Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.529 -0.843 . . . . 0.0 114.429 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.56 -39.25 84.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.73 0.765 . . . . 0.0 110.255 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.3 19.96 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.325 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.5 p30 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.113 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.819 0.342 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.45 131.62 51.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.8 87.15 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -168.1 161.29 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.69 70.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.82 -146.86 0.19 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.4 -0.66 1.33 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.531 -0.843 . . . . 0.0 114.413 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.773 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.61 -39.19 84.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 117.791 0.796 . . . . 0.0 110.225 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.47 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.31 19.9 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.378 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.133 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.865 0.364 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.45 131.6 51.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -59.79 87.01 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -167.93 161.31 12.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.63 70.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.81 -146.79 0.19 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.448 -0.205 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.464 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.44 -0.64 1.34 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.481 -0.866 . . . . 0.0 114.435 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.775 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.63 -39.2 84.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.826 0.813 . . . . 0.0 110.242 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.47 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.28 19.83 1.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.353 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p30 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.148 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.802 0.334 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -60.38 131.71 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -59.94 87.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -167.9 161.33 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.439 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.62 70.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.481 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.8 -146.9 0.2 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.34 -0.66 1.3 Allowed Glycine 0 CA--C 1.524 0.608 0 C-N-CA 120.549 -0.834 . . . . 0.0 114.435 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.51 -39.27 85.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.773 0.786 . . . . 0.0 110.337 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.471 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.34 19.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.373 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.121 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.767 0.318 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.42 131.63 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -59.82 87.02 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -167.85 161.34 13.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.65 70.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.54 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.82 -146.86 0.19 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.45 -0.59 1.32 Allowed Glycine 0 CA--C 1.524 0.616 0 C-N-CA 120.589 -0.815 . . . . 0.0 114.416 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.773 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.61 -39.19 84.74 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.747 0.773 . . . . 0.0 110.274 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.469 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.37 20.01 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.355 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.129 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.56 127.01 29.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.73 94.56 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -176.49 153.31 1.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 162.33 71.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.88 -146.88 0.19 Allowed 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.41 -0.6 1.31 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.506 -179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.769 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.57 -39.26 84.9 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 117.742 0.771 . . . . 0.0 110.291 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.462 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.33 19.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.311 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.081 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.791 0.329 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.53 126.08 26.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -59.69 87.03 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -168.05 153.15 6.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.43 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 162.68 71.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.85 -146.83 0.19 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.49 -0.54 1.33 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.548 -0.834 . . . . 0.0 114.419 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.768 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.63 -39.25 84.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.716 0.758 . . . . 0.0 110.264 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.27 19.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.349 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 p30 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.197 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.23 135.82 57.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -61.42 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -157.63 140.61 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.94 82.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.43 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -138.7 -170.65 2.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 111.795 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.82 -26.04 74.86 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 114.523 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 87.4 mt -50.37 -28.07 7.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.146 0.473 . . . . 0.0 110.919 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.8 p90 -148.29 16.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.38 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.1 p30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.162 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 CA--C 1.528 0.111 0 CA-C-O 120.613 0.244 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -97.9 34.84 1.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.852 0.358 . . . . 0.0 110.698 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 t70 44.92 90.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.375 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -178.15 135.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.48 82.92 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.59 -171.51 3.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.085 0.469 . . . . 0.0 111.871 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.82 -21.78 78.11 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.618 -0.719 . . . . 0.0 114.492 -178.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.843 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.86 -32.56 45.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.226 0.513 . . . . 0.0 110.318 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.82 16.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.419 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.1 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.277 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.634 0.255 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -97.9 34.9 1.8 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.924 0.392 . . . . 0.0 110.745 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 t70 44.88 90.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.437 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -178.18 135.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.41 82.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.54 -171.37 2.97 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.034 0.445 . . . . 0.0 111.816 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.9 -21.89 78.24 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.638 -0.71 . . . . 0.0 114.407 -178.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.843 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.78 -32.49 43.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.24 0.52 . . . . 0.0 110.358 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.92 16.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.363 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.219 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.815 0.34 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.57 135.57 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -63.35 81.58 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.56 140.71 30.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.98 82.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.94 -171.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.954 0.407 . . . . 0.0 111.854 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.42 -22.21 77.65 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.634 -0.712 . . . . 0.0 114.428 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -53.0 -32.45 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.229 0.514 . . . . 0.0 110.28 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.8 p90 -143.52 16.16 1.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.401 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.203 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.57 135.58 57.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.695 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.45 81.62 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.071 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.61 140.74 30.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.96 83.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.95 -171.32 2.98 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.038 0.446 . . . . 0.0 111.803 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.46 -22.22 77.7 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.598 -0.728 . . . . 0.0 114.4 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.92 -32.51 45.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.299 0.549 . . . . 0.0 110.396 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.49 16.27 1.83 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.421 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.219 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.741 0.305 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.62 135.54 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -63.24 81.5 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.61 140.64 30.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.96 83.04 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.86 -171.32 2.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.022 0.439 . . . . 0.0 111.845 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.38 -22.25 77.61 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.668 -0.696 . . . . 0.0 114.467 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.97 -32.49 46.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.206 0.503 . . . . 0.0 110.357 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.46 16.18 1.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.398 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.225 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.5 135.5 57.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.737 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.29 81.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.66 140.66 30.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.98 82.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.533 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.85 -171.4 3.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.003 0.43 . . . . 0.0 111.882 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.36 -22.22 77.57 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.642 -0.708 . . . . 0.0 114.456 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -53.04 -32.38 46.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.239 0.519 . . . . 0.0 110.37 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.47 16.19 1.84 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.463 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.223 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.57 135.63 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.694 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -63.41 81.63 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.024 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.69 140.71 30.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.99 82.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.87 -171.3 2.97 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.975 0.417 . . . . 0.0 111.872 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.41 -22.25 77.65 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 114.508 -178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.862 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.86 -32.54 45.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.232 0.516 . . . . 0.0 110.353 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.54 16.36 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.399 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.204 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.748 0.308 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.56 135.64 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.715 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.4 81.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.63 140.71 30.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.03 82.98 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.87 -171.27 2.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.05 0.452 . . . . 0.0 111.855 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.48 -22.22 77.73 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.644 -0.707 . . . . 0.0 114.419 -178.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.95 -32.38 45.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.276 0.538 . . . . 0.0 110.421 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.63 16.26 1.81 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.385 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.5 135.58 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.73 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -63.42 81.57 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.014 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -143.62 140.64 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.99 82.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.89 -171.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.013 0.435 . . . . 0.0 111.844 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.43 -22.21 77.66 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.619 -0.718 . . . . 0.0 114.449 -178.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.86 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -53.06 -32.39 46.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.287 0.544 . . . . 0.0 110.291 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.51 16.27 1.83 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.384 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 58.9 p30 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.818 0.342 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -85.7 118.35 25.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.648 ' HB1' ' HE3' ' A' ' 7' ' ' MET . . . -162.06 31.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -96.11 44.04 1.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.727 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -111.9 54.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.808 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 t70 48.29 86.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.648 ' HE3' ' HB1' ' A' ' 3' ' ' ALA . 26.3 ptt? -176.7 147.76 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.45 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 155.14 92.78 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.244 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -160.92 -163.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.658 0.266 . . . . 0.0 111.02 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.3 84.87 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.714 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.613 HD23 ' C ' ' A' ' 11' ' ' LEU . 5.0 tt -174.49 -60.23 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.305 0.574 . . . . 0.0 109.758 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.459 ' HD2' HD22 ' A' ' 11' ' ' LEU . 4.9 p90 -128.38 4.73 5.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.744 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.96 -179.796 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.844 0.354 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.537 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -134.16 -177.82 4.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.63 77.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.12 -29.18 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 66.0 t0 -59.37 139.37 57.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.644 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 56.0 m-20 -56.72 89.36 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -175.66 146.87 0.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.457 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 159.09 92.73 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.389 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -161.32 -163.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.643 0.259 . . . . 0.0 111.047 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.07 85.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.721 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.615 HD23 ' C ' ' A' ' 11' ' ' LEU . 5.0 tt -174.42 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.223 0.535 . . . . 0.0 109.68 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.485 ' HD2' HD22 ' A' ' 11' ' ' LEU . 4.6 p90 -130.59 6.0 4.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.702 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.8 p30 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.912 -179.803 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.829 0.347 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -133.71 -177.59 4.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.741 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.63 77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.02 -29.23 63.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.811 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 66.1 t0 -59.38 139.46 57.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 56.3 m-20 -56.78 89.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -175.43 147.67 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.452 ' HA2' ' CE1' ' A' ' 12' ' ' PHE . . . 157.5 94.3 0.1 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.342 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -161.19 -164.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 110.991 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.0 85.42 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.721 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.615 HD23 ' C ' ' A' ' 11' ' ' LEU . 5.0 tt -174.84 -65.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.254 0.549 . . . . 0.0 109.727 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CE1' ' HA2' ' A' ' 8' ' ' GLY . 4.7 p90 -121.82 -0.5 9.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.717 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.1 p30 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.278 -0.867 . . . . 0.0 111.009 -179.844 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.833 0.349 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -134.1 -178.51 5.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.788 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.691 ' HB1' ' CE ' ' A' ' 7' ' ' MET . . . -175.33 72.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.35 -30.92 69.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -68.0 131.53 45.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -59.76 125.52 23.98 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.691 ' CE ' ' HB1' ' A' ' 3' ' ' ALA . 27.1 ptt? -176.46 165.08 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 143.77 69.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.449 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.83 -146.84 0.19 Allowed 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.459 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.49 -0.59 1.35 Allowed Glycine 0 CA--C 1.524 0.638 0 C-N-CA 120.529 -0.843 . . . . 0.0 114.429 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.56 -39.25 84.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 117.73 0.765 . . . . 0.0 110.255 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.483 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.3 19.96 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.325 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.5 p30 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.113 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.808 0.337 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.2 mp0 -133.95 -177.61 4.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.716 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.26 72.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -60.28 -30.98 69.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.8 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.45 131.62 51.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.8 87.15 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -168.1 161.29 12.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.69 70.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.5 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.82 -146.86 0.19 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.4 -0.66 1.33 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.531 -0.843 . . . . 0.0 114.413 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.773 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.61 -39.19 84.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 117.791 0.796 . . . . 0.0 110.225 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.47 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.31 19.9 1.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.378 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.133 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.86 0.362 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -133.5 178.74 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.32 72.51 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.31 -30.86 69.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.45 131.6 51.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -59.79 87.01 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -167.93 161.31 12.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.63 70.71 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.437 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.81 -146.79 0.19 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 110.448 -0.205 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.464 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.44 -0.64 1.34 Allowed Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.481 -0.866 . . . . 0.0 114.435 -179.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.775 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.63 -39.2 84.68 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 117.826 0.813 . . . . 0.0 110.242 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.47 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.28 19.83 1.38 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.353 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p30 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.148 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -133.51 -177.82 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.775 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.27 72.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.042 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.31 -30.98 69.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -60.38 131.71 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -59.94 87.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -167.9 161.33 12.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.62 70.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.481 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.8 -146.9 0.2 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.34 -0.66 1.3 Allowed Glycine 0 CA--C 1.524 0.608 0 C-N-CA 120.549 -0.834 . . . . 0.0 114.435 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.774 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.51 -39.27 85.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 117.773 0.786 . . . . 0.0 110.337 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.471 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.34 19.96 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.373 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.121 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.913 0.387 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -133.77 -178.47 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.774 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.27 72.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.37 -30.97 69.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.79 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.42 131.63 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -59.82 87.02 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -167.85 161.34 13.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 149.65 70.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.54 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.82 -146.86 0.19 Allowed 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.476 -0.194 . . . . 0.0 110.476 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.45 -0.59 1.32 Allowed Glycine 0 CA--C 1.524 0.616 0 C-N-CA 120.589 -0.815 . . . . 0.0 114.416 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.773 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.61 -39.19 84.74 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 117.747 0.773 . . . . 0.0 110.274 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.469 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.37 20.01 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.355 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.129 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.813 0.339 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -134.13 -177.58 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.801 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.29 72.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.32 -30.93 69.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.56 127.01 29.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -59.73 94.56 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -176.49 153.31 1.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 162.33 71.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.8 p90 -154.88 -146.88 0.19 Allowed 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.41 -0.6 1.31 Allowed Glycine 0 CA--C 1.523 0.548 0 C-N-CA 120.5 -0.857 . . . . 0.0 114.506 -179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.769 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.57 -39.26 84.9 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 117.742 0.771 . . . . 0.0 110.291 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.462 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.33 19.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.311 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.081 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.882 0.372 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -133.93 -178.34 4.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.776 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.32 72.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -60.29 -30.99 69.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -60.53 126.08 26.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -59.69 87.03 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -168.05 153.15 6.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.43 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . 162.68 71.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.472 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 7.7 p90 -154.85 -146.83 0.19 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.462 ' N ' ' HD1' ' A' ' 9' ' ' PHE . . . -60.49 -0.54 1.33 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.548 -0.834 . . . . 0.0 114.419 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.768 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.2 tt -67.63 -39.25 84.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 117.716 0.758 . . . . 0.0 110.264 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HD2' HD22 ' A' ' 11' ' ' LEU . 2.4 p90 -146.27 19.91 1.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.349 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 57.7 p30 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.197 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.824 0.345 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.539 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -133.6 178.62 6.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.761 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.53 77.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -57.87 -28.9 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.23 135.82 57.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.727 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -61.42 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -157.63 140.61 15.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.94 82.88 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.43 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -138.7 -170.65 2.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.032 0.444 . . . . 0.0 111.795 -179.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.82 -26.04 74.86 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.667 -0.697 . . . . 0.0 114.523 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.563 ' HB2' ' CE1' ' A' ' 9' ' ' PHE . 87.4 mt -50.37 -28.07 7.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 117.146 0.473 . . . . 0.0 110.919 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.528 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.8 p90 -148.29 16.86 1.05 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.38 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.413 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.1 p30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.162 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -133.92 -177.68 4.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.54 ' HB1' ' HG2' ' A' ' 7' ' ' MET . . . -175.2 107.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.76 -17.12 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.183 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -97.9 34.84 1.81 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.852 0.358 . . . . 0.0 110.698 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 t70 44.92 90.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.375 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.54 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 27.0 ptt? -178.15 135.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.48 82.92 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.59 -171.51 3.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.085 0.469 . . . . 0.0 111.871 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.82 -21.78 78.11 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.618 -0.719 . . . . 0.0 114.492 -178.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.843 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.86 -32.56 45.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 117.226 0.513 . . . . 0.0 110.318 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.82 16.45 1.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.419 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.442 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.1 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.139 -0.934 . . . . 0.0 111.277 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.827 0.346 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -133.46 -177.82 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.78 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.541 ' HB1' ' HG2' ' A' ' 7' ' ' MET . . . -175.21 107.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.72 -17.12 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -97.9 34.9 1.8 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.924 0.392 . . . . 0.0 110.745 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 t70 44.88 90.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.437 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.541 ' HG2' ' HB1' ' A' ' 3' ' ' ALA . 26.9 ptt? -178.18 135.62 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.41 82.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.54 -171.37 2.97 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.034 0.445 . . . . 0.0 111.816 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.9 -21.89 78.24 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.638 -0.71 . . . . 0.0 114.407 -178.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.843 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.78 -32.49 43.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.24 0.52 . . . . 0.0 110.358 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.92 16.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.363 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.219 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.809 0.338 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.9 mp0 -85.42 173.64 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.789 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.726 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.5 75.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.32 -29.56 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.57 135.57 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -63.35 81.58 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.726 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.56 140.71 30.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.98 82.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.94 -171.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.954 0.407 . . . . 0.0 111.854 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.42 -22.21 77.65 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.634 -0.712 . . . . 0.0 114.428 -178.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -53.0 -32.45 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.229 0.514 . . . . 0.0 110.28 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.8 p90 -143.52 16.16 1.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.401 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.881 . . . . 0.0 111.203 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -133.4 171.99 13.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.726 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.51 75.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.36 -29.55 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.57 135.58 57.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.695 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.45 81.62 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.071 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.726 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.61 140.74 30.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.96 83.01 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.95 -171.32 2.98 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.038 0.446 . . . . 0.0 111.803 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.46 -22.22 77.7 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.598 -0.728 . . . . 0.0 114.4 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.92 -32.51 45.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.299 0.549 . . . . 0.0 110.396 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.49 16.27 1.83 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.421 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.219 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.7 mp0 -133.62 172.76 12.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.816 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.726 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.5 75.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.34 -29.59 66.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.62 135.54 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -63.24 81.5 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.726 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.61 140.64 30.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.96 83.04 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.86 -171.32 2.98 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.022 0.439 . . . . 0.0 111.845 -179.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.38 -22.25 77.61 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.668 -0.696 . . . . 0.0 114.467 -178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.97 -32.49 46.36 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.206 0.503 . . . . 0.0 110.357 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.46 16.18 1.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.398 179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.225 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.789 0.328 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -134.04 171.61 13.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.807 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.755 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.52 75.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -58.4 -29.55 66.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -59.5 135.5 57.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.737 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.29 81.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.755 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.66 140.66 30.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.98 82.93 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.533 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.85 -171.4 3.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.003 0.43 . . . . 0.0 111.882 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.36 -22.22 77.57 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.642 -0.708 . . . . 0.0 114.456 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -53.04 -32.38 46.5 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.239 0.519 . . . . 0.0 110.37 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.47 16.19 1.84 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.463 179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.223 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.863 0.363 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.2 mp0 -133.69 171.58 13.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.736 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.727 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.51 75.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.37 -29.54 66.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.797 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.57 135.63 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.694 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -63.41 81.63 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.024 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.727 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.69 140.71 30.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.99 82.99 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.87 -171.3 2.97 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.975 0.417 . . . . 0.0 111.872 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.41 -22.25 77.65 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.542 -0.754 . . . . 0.0 114.508 -178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.862 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.86 -32.54 45.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.232 0.516 . . . . 0.0 110.353 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.54 16.36 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.399 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.28 -0.867 . . . . 0.0 111.204 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.817 0.341 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 42.8 mp0 -100.94 167.78 10.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.756 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.755 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.56 75.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.37 -29.61 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.796 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -59.56 135.64 57.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.715 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.4 81.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.755 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.63 140.71 30.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.03 82.98 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.87 -171.27 2.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.05 0.452 . . . . 0.0 111.855 -179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.48 -22.22 77.73 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.644 -0.707 . . . . 0.0 114.419 -178.183 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.861 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -52.95 -32.38 45.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 117.276 0.538 . . . . 0.0 110.421 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.63 16.26 1.81 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.385 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 59.0 p-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.846 0.355 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 43.0 mp0 -133.56 174.14 10.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.78 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.728 ' HB1' ' HE2' ' A' ' 7' ' ' MET . . . -175.53 75.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.35 -29.57 66.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -59.5 135.58 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.73 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -63.42 81.57 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.014 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.728 ' HE2' ' HB1' ' A' ' 3' ' ' ALA . 26.6 ptt? -143.62 140.64 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -173.99 82.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -137.89 -171.26 2.97 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.013 0.435 . . . . 0.0 111.844 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.407 ' HA2' ' HB3' ' A' ' 13' ' ' ASP . . . -70.43 -22.21 77.66 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.619 -0.718 . . . . 0.0 114.449 -178.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.86 ' O ' HD23 ' A' ' 11' ' ' LEU . 5.7 tt -53.06 -32.39 46.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.287 0.544 . . . . 0.0 110.291 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.527 ' CE2' ' CE1' ' A' ' 9' ' ' PHE . 2.9 p90 -143.51 16.27 1.83 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.384 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 58.9 p30 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.301 -0.857 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 stop_ save_