data_2lk0_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 2lk0 _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 ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 110.024 -0.361 . . . . 0.91 110.024 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -151.29 177.36 10.32 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 121.461 -0.774 . . . . 0.91 110.195 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 -148.51 168.37 22.92 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 117.037 -1.458 . . . . 0.57 109.777 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.71 134.47 55.22 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 124.89 1.369 . . . . 0.57 111.147 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.0 t -65.57 147.76 52.88 Favored 'General case' 0 CA--C 1.504 -0.819 0 C-N-CA 118.933 -1.107 . . . . 0.57 111.078 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -90.91 23.18 3.27 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 119.087 -0.483 . . . . 0.57 111.58 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 -62.1 0.77 Allowed 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.225 -1.028 . . . . 0.57 108.225 -177.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.3 p -95.53 -1.01 51.45 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 118.52 -0.753 . . . . 0.57 112.697 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m 68.1 15.38 9.42 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.683 1.128 . . . . 0.57 113.994 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -84.19 141.48 31.0 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-O 118.604 -0.712 . . . . 0.57 109.59 -175.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.46 160.45 30.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.932 -0.556 . . . . 0.57 112.214 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -161.31 153.53 19.96 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.786 -0.766 . . . . 0.57 111.592 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.26 148.77 43.83 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.016 0.822 . . . . 0.57 110.898 -174.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -31.71 72.58 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 112.748 0.647 . . . . 1.2 112.748 175.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.2 -24.47 67.37 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 119.511 -0.875 . . . . 0.57 111.528 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 170.75 0.56 Allowed 'General case' 0 C--N 1.349 0.548 0 C-N-CA 119.705 -0.798 . . . . 1.2 110.042 -176.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.98 -37.81 3.78 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 117.19 -1.386 . . . . 0.57 110.358 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -154.39 162.03 41.39 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 121.379 1.899 . . . . 0.57 107.113 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 t -63.97 127.13 30.05 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 118.634 -1.226 . . . . 0.57 110.343 -174.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -79.23 -11.03 59.95 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 118.508 -0.758 . . . . 0.57 111.184 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -85.19 -64.53 1.14 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.772 0.715 . . . . 1.2 110.194 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 p -86.5 -17.33 34.44 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 117.643 -1.17 . . . . 0.57 109.811 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.56 -17.53 58.32 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-N 120.184 1.357 . . . . 0.57 111.398 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.77 154.7 29.74 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 119.124 1.462 . . . . 0.57 110.634 -173.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -78.19 153.15 32.25 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 119.568 -0.853 . . . . 0.91 111.285 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -59.58 -20.78 58.18 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 118.014 -0.993 . . . . 0.57 110.762 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.83 24.86 12.05 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.02 0.827 . . . . 0.57 109.78 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--N 1.352 0.68 0 CA-C-N 119.28 0.946 . . . . 0.91 110.032 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.435 0 N-CA-C 109.642 -0.503 . . . . 0.91 109.642 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -153.01 178.53 9.6 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 118.007 -0.996 . . . . 0.91 109.142 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -149.65 165.02 33.59 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 117.749 -1.119 . . . . 0.57 109.63 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.29 134.78 51.36 Favored 'General case' 0 CA--C 1.501 -0.91 0 O-C-N 124.454 1.096 . . . . 0.57 109.814 -176.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.31 152.76 41.91 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 118.92 -1.112 . . . . 0.57 112.087 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.44 29.18 3.35 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 123.654 0.596 . . . . 0.57 110.71 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -139.31 -59.51 0.58 Allowed 'General case' 0 C--N 1.35 0.589 0 N-CA-C 108.87 -0.789 . . . . 0.57 108.87 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.0 p -101.49 -0.78 34.53 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.855 -1.069 . . . . 0.57 111.743 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.0 m 63.47 22.43 13.22 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.461 1.482 . . . . 0.57 111.983 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.82 136.91 35.62 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 109.064 -0.717 . . . . 0.57 109.064 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.2 149.07 47.88 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 117.972 -1.013 . . . . 0.57 111.928 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -147.06 151.34 36.73 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.382 0.992 . . . . 0.57 111.324 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.5 149.72 20.43 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 124.385 1.053 . . . . 0.57 110.925 -174.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -24.93 66.63 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 113.946 1.091 . . . . 1.2 113.946 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -74.3 -11.77 60.36 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 118.048 -0.977 . . . . 0.57 109.143 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 130.26 35.33 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.575 1.079 . . . . 1.2 109.316 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.69 13.57 6.94 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.689 -1.148 . . . . 0.57 111.516 173.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -174.43 172.8 3.09 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 121.542 1.973 . . . . 0.57 108.966 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 t -81.95 132.36 35.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 118.93 -1.108 . . . . 0.57 110.804 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.55 11.48 19.44 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.938 0.79 . . . . 0.57 111.529 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.85 -56.63 2.36 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 118.132 -0.937 . . . . 1.2 109.686 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 p -98.04 -12.06 22.29 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 117.081 -1.438 . . . . 0.57 111.206 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.48 -38.3 3.21 Favored Glycine 0 C--N 1.356 1.693 0 CA-C-N 121.319 1.872 . . . . 0.57 112.37 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.9 158.76 3.56 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 118.457 1.129 . . . . 0.57 113.108 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -86.23 174.45 9.09 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.98 -0.688 . . . . 0.91 110.228 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -62.15 -53.3 57.28 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.703 -0.48 . . . . 0.57 109.703 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.96 19.48 16.12 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 107.96 -1.126 . . . . 0.57 107.96 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.576 0 N-CA-C 116.501 2.038 . . . . 0.91 116.501 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.221 -0.418 0 N-CA-C 108.593 -0.891 . . . . 0.91 108.593 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -154.84 176.53 12.37 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.142 -0.932 . . . . 0.91 109.543 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -151.27 161.75 42.15 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 118.022 -0.989 . . . . 0.57 110.018 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.15 139.84 40.04 Favored 'General case' 0 CA--C 1.504 -0.811 0 O-C-N 124.141 0.901 . . . . 0.57 111.589 -177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.3 t -77.91 151.16 33.9 Favored 'General case' 0 CA--C 1.506 -0.735 0 C-N-CA 118.929 -1.109 . . . . 0.57 110.753 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.45 30.92 2.38 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 123.617 0.573 . . . . 0.57 110.231 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -141.28 -56.34 0.49 Allowed 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.91 -1.043 . . . . 0.57 109.828 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.9 p -100.93 -1.17 35.21 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.5 1.045 . . . . 0.57 111.616 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 20.62 10.46 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.794 1.634 . . . . 0.57 112.076 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -96.13 141.78 29.09 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.051 0.841 . . . . 0.57 108.779 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.82 116.23 23.94 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 117.655 -1.164 . . . . 0.57 110.535 -176.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -113.34 152.05 30.43 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 119.734 1.152 . . . . 0.57 111.129 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.42 151.85 35.91 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.053 0.846 . . . . 0.57 108.825 -175.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -20.59 59.11 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 114.327 1.232 . . . . 1.2 114.327 173.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -8.69 59.75 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 118.24 -0.886 . . . . 0.57 108.622 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.47 109.31 13.71 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.611 -1.996 . . . . 1.2 105.611 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -60.26 -23.43 64.1 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-O 117.781 -1.104 . . . . 0.57 109.502 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -149.59 161.82 41.4 Favored 'General case' 0 CA--C 1.497 -1.063 0 C-N-CA 118.862 -1.135 . . . . 0.57 109.961 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 t -59.47 131.77 51.96 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 119.094 -1.043 . . . . 0.57 109.8 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -89.04 10.11 22.84 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.146 0.884 . . . . 0.57 112.371 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.5 -56.22 2.41 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 117.564 -1.208 . . . . 1.2 109.419 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 p -94.85 -14.61 24.43 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.105 -1.426 . . . . 0.57 111.323 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.74 -38.04 3.27 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-N 121.218 1.826 . . . . 0.57 111.883 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.29 149.7 7.04 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 118.553 1.177 . . . . 0.57 113.066 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.62 156.23 35.11 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 119.637 -0.825 . . . . 0.91 110.88 -177.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -60.52 -21.67 62.74 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.414 -0.803 . . . . 0.57 111.92 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.3 17.92 21.34 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.965 -1.017 . . . . 0.57 110.756 177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.355 0.827 0 CA-C-O 117.528 -1.225 . . . . 0.91 113.907 178.307 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.221 -0.426 0 N-CA-C 109.159 -0.682 . . . . 0.91 109.159 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.6 173.77 14.78 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.18 -0.914 . . . . 0.91 109.325 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -145.71 165.78 27.78 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.381 -0.818 . . . . 0.57 110.105 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 tp -106.91 127.54 53.52 Favored 'General case' 0 CA--C 1.504 -0.797 0 O-C-N 124.659 1.224 . . . . 0.57 109.584 -176.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.6 t -67.95 149.27 49.97 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.147 1.166 . . . . 0.57 114.147 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.29 28.3 3.73 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 117.917 0.326 . . . . 0.57 110.979 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.61 -64.5 0.49 Allowed 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.871 -0.788 . . . . 0.57 108.871 -175.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.8 p -92.51 -2.53 56.16 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 120.015 -0.674 . . . . 0.57 111.879 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 68.33 22.84 7.86 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 119.054 0.843 . . . . 0.57 112.109 175.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.63 145.61 31.73 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.846 0.748 . . . . 0.57 109.429 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.61 161.55 30.63 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 118.396 -0.812 . . . . 0.57 111.748 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -154.83 148.11 24.96 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 120.253 -0.579 . . . . 0.57 110.945 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.56 149.37 25.73 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.174 0.922 . . . . 0.57 110.806 -175.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -61.41 -31.07 70.98 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 119.439 -0.904 . . . . 1.2 112.613 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -68.78 -18.52 64.21 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 119.329 -0.948 . . . . 0.57 112.039 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.09 104.04 2.91 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 107.549 -1.278 . . . . 1.2 107.549 -175.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -27.54 13.72 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 113.494 0.924 . . . . 0.57 113.494 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -144.61 -179.59 6.66 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 106.671 -1.603 . . . . 0.57 106.671 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -79.53 147.25 32.24 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 119.267 -0.973 . . . . 0.57 112.651 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -92.88 20.96 6.05 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.859 0.754 . . . . 0.57 112.52 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.77 -56.27 1.06 Allowed 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 117.697 -1.145 . . . . 1.2 108.985 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.6 p -105.23 -1.17 25.66 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.795 1.18 . . . . 0.57 112.537 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.88 24.28 57.59 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-N 121.24 1.836 . . . . 0.57 114.786 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.9 144.46 26.21 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.567 1.684 . . . . 0.57 109.364 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.89 157.11 25.63 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 120.047 -0.661 . . . . 0.91 109.824 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -66.16 -51.52 57.09 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 120.14 -0.624 . . . . 0.57 109.807 -172.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.33 24.76 9.81 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.003 -1.11 . . . . 0.57 108.003 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 . . . . . 0 C--N 1.353 0.724 0 N-CA-C 114.696 1.369 . . . . 0.91 114.696 -174.516 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.505 -0.753 0 N-CA-C 108.134 -1.062 . . . . 0.91 108.134 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.87 178.52 0.17 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.385 -0.825 . . . . 0.91 111.694 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.8 p-90 -135.89 166.12 24.05 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.905 -1.045 . . . . 0.57 110.533 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mp -114.59 127.95 56.06 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.52 1.137 . . . . 0.57 110.895 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 t -57.75 152.62 15.23 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 118.721 -1.192 . . . . 0.57 110.635 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -95.74 25.74 4.44 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.483 0.489 . . . . 0.57 111.014 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.69 -59.24 0.67 Allowed 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 108.676 -0.861 . . . . 0.57 108.676 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.86 -1.28 37.86 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-O 118.247 -0.882 . . . . 0.57 112.379 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t 63.5 18.75 11.28 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 120.137 1.335 . . . . 0.57 113.495 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tp -83.42 123.25 29.5 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 106.809 -1.552 . . . . 0.57 106.809 -176.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.02 144.53 56.67 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 118.092 -0.956 . . . . 0.57 111.451 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -148.04 134.46 19.64 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.547 -0.739 . . . . 0.57 111.375 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.88 145.91 1.84 Allowed 'General case' 0 C--N 1.354 0.768 0 O-C-N 123.991 0.807 . . . . 0.57 112.142 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -30.85 70.72 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.951 -0.7 . . . . 1.2 110.919 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.88 -34.89 4.12 Favored 'General case' 0 C--O 1.221 -0.429 0 O-C-N 123.574 0.546 . . . . 0.57 110.77 174.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -72.15 163.01 28.66 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 120.138 -0.625 . . . . 1.2 109.726 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.63 -32.18 6.53 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 117.071 -1.442 . . . . 0.57 111.102 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -145.01 153.56 41.61 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 121.265 1.848 . . . . 0.57 107.159 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 t -62.29 128.98 38.62 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 119.037 -1.065 . . . . 0.57 110.535 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -78.2 -20.01 52.71 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 120.146 -0.622 . . . . 0.57 110.566 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.23 -63.69 1.18 Allowed 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.127 -0.94 . . . . 1.2 110.942 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.25 -19.32 30.13 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.555 -1.212 . . . . 0.57 109.526 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.14 -12.15 70.31 Favored Glycine 0 C--N 1.356 1.668 0 CA-C-N 120.169 1.349 . . . . 0.57 111.863 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.92 158.62 21.52 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 118.147 0.974 . . . . 0.57 109.845 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -69.11 152.94 44.54 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 120.082 -0.647 . . . . 0.91 110.863 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.24 60.46 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 118.039 -0.982 . . . . 0.57 111.703 174.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.46 27.27 9.71 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.846 0.748 . . . . 0.57 110.467 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 CA--C 1.507 -0.698 0 N-CA-C 107.932 -1.136 . . . . 0.91 107.932 -178.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--O 1.22 -0.472 0 N-CA-C 108.813 -0.81 . . . . 0.91 108.813 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.18 178.12 10.56 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.945 -1.026 . . . . 0.91 108.354 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -149.19 168.02 24.4 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.164 -1.398 . . . . 0.57 109.729 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.98 145.13 46.06 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.668 1.23 . . . . 0.57 110.942 -176.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -82.95 145.02 29.61 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 118.655 -1.218 . . . . 0.57 111.57 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.87 27.51 2.08 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 118.692 0.678 . . . . 0.57 111.018 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.31 -59.56 0.82 Allowed 'General case' 0 C--N 1.35 0.611 0 N-CA-C 108.833 -0.803 . . . . 0.57 108.833 -176.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 p -102.37 2.07 36.26 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-O 118.556 -0.735 . . . . 0.57 112.217 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.87 18.71 10.66 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.682 1.128 . . . . 0.57 112.99 175.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tp -94.05 144.76 25.19 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 118.685 0.675 . . . . 0.57 110.052 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.67 164.03 26.28 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 123.831 0.707 . . . . 0.57 111.766 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -161.0 145.68 13.85 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 120.29 -0.564 . . . . 0.57 111.735 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.68 148.24 7.54 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 123.86 0.725 . . . . 0.57 112.701 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -30.35 70.01 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 112.917 0.71 . . . . 1.2 112.917 174.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -19.08 62.96 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 118.278 -0.868 . . . . 0.57 111.195 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 168.23 18.84 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 119.277 -0.969 . . . . 1.2 110.719 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -136.17 25.67 3.25 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.053 0.846 . . . . 0.57 110.053 176.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -174.69 139.22 0.53 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 119.891 1.223 . . . . 0.57 109.647 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 t -65.32 134.95 54.68 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 118.514 -1.274 . . . . 0.57 110.169 -173.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -90.42 8.56 33.07 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.957 0.799 . . . . 0.57 112.258 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -110.39 -55.72 2.43 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 117.996 -1.002 . . . . 1.2 108.937 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.8 p -100.92 -10.71 20.37 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-O 116.947 -1.502 . . . . 0.57 111.839 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.33 -35.33 4.07 Favored Glycine 0 C--N 1.357 1.728 0 CA-C-N 121.766 2.075 . . . . 0.57 112.418 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.58 150.74 4.77 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 118.161 0.98 . . . . 0.57 112.643 -174.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -78.76 150.33 32.44 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 119.713 -0.795 . . . . 0.91 111.455 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -20.87 63.66 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.974 -1.012 . . . . 0.57 112.147 174.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.65 24.68 11.85 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.859 0.754 . . . . 0.57 109.797 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 CA--C 1.509 -0.634 0 O-C-N 121.544 -0.723 . . . . 0.91 109.251 -178.424 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.221 -0.396 0 N-CA-C 110.234 -0.284 . . . . 0.91 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.22 175.5 12.11 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.278 -0.868 . . . . 0.91 109.702 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -147.01 166.36 27.06 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 117.398 -1.287 . . . . 0.57 109.846 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -114.43 132.59 56.2 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.436 1.085 . . . . 0.57 110.55 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.6 t -61.96 153.24 29.93 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 119.022 -1.071 . . . . 0.57 111.624 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.72 22.68 6.95 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 123.36 0.413 . . . . 0.57 110.499 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.19 -59.97 0.77 Allowed 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.884 -0.784 . . . . 0.57 108.884 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -100.25 -1.89 35.21 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 118.344 -0.836 . . . . 0.57 112.68 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 63.89 18.34 11.11 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.393 1.451 . . . . 0.57 114.066 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tp -81.06 134.46 35.67 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.591 -1.263 . . . . 0.57 107.591 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.39 159.82 30.8 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.616 -0.707 . . . . 0.57 110.555 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -160.41 148.71 16.6 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 119.662 -0.815 . . . . 0.57 111.587 176.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.91 143.89 46.41 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.032 0.832 . . . . 0.57 110.539 -175.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -30.74 62.09 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 112.808 0.67 . . . . 1.2 112.808 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -23.86 62.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 118.573 -1.251 . . . . 0.57 110.273 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 137.38 32.48 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 118.272 -0.871 . . . . 1.2 110.002 -174.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -103.42 24.82 10.43 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-N 118.687 0.676 . . . . 0.57 110.539 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -178.58 163.63 1.53 Allowed 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 119.67 1.123 . . . . 0.57 109.851 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.6 t -89.45 130.19 35.83 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 119.577 -0.849 . . . . 0.57 111.249 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -81.21 -15.13 56.54 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 118.879 -0.582 . . . . 0.57 111.414 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.81 -63.37 1.4 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 118.413 0.551 . . . . 1.2 110.761 -179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 p -88.33 -18.52 28.3 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 117.759 -1.115 . . . . 0.57 108.367 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.99 -10.76 74.16 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-O 117.802 -1.554 . . . . 0.57 110.862 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.92 158.21 21.67 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.662 1.731 . . . . 0.57 110.344 -173.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.53 175.21 4.25 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 119.586 -0.845 . . . . 0.91 110.439 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -61.82 -52.58 63.58 Favored 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 109.005 -0.739 . . . . 0.57 109.005 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.12 24.05 9.97 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.681 -0.859 . . . . 0.57 108.681 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.35 0.601 0 CA-C-O 118.078 -0.963 . . . . 0.91 111.83 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 CA--C 1.512 -0.495 0 N-CA-C 107.97 -1.122 . . . . 0.91 107.97 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.48 179.93 8.78 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.69 -1.226 . . . . 0.91 107.69 -175.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CH2' ' HG2' ' A' ' 28' ' ' LYS . 61.3 p-90 -150.99 161.86 41.94 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 117.715 -1.136 . . . . 0.57 109.558 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -105.41 136.49 44.87 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 124.172 0.92 . . . . 0.57 110.897 -175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.1 t -70.82 153.06 43.08 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 119.5 -0.88 . . . . 0.57 111.654 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.87 30.39 3.04 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.462 0.476 . . . . 0.57 109.876 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -140.22 -52.58 0.5 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-O 118.406 -0.807 . . . . 0.57 109.477 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.3 3.53 17.12 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 117.644 -1.17 . . . . 0.57 112.794 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.9 m 64.62 19.34 11.79 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.865 1.666 . . . . 0.57 113.387 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -83.94 129.96 34.91 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 109.129 -0.693 . . . . 0.57 109.129 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -69.12 112.95 6.06 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 117.09 -1.433 . . . . 0.57 112.549 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -113.87 150.73 33.2 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.844 1.202 . . . . 0.57 111.567 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.95 152.09 10.73 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.092 0.87 . . . . 0.57 111.768 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 83.3 0.71 Allowed 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 120.496 -0.482 . . . . 1.2 111.119 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt 177.34 -49.16 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.621 -0.881 . . . . 0.57 108.621 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.67 112.54 0.47 Allowed 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.927 0.767 . . . . 1.2 109.24 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.71 -23.02 49.64 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 118.09 -0.957 . . . . 0.57 110.742 174.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -146.97 156.35 42.98 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 119.119 -1.032 . . . . 0.57 109.737 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.59 129.14 40.5 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 119.548 -0.861 . . . . 0.57 110.987 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -78.82 -20.67 49.13 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.837 -0.745 . . . . 0.57 111.603 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -66.11 0.78 Allowed 'General case' 0 C--N 1.348 0.511 0 CA-C-O 118.406 -0.807 . . . . 1.2 111.986 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.6 p -83.28 -19.8 35.63 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.71 -1.138 . . . . 0.57 109.161 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.02 -14.0 66.32 Favored Glycine 0 C--N 1.356 1.667 0 CA-C-O 118.108 -1.384 . . . . 0.57 111.544 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.91 160.63 19.35 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 119.064 1.432 . . . . 0.57 111.015 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.56 171.85 1.03 Allowed 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 119.632 -0.827 . . . . 0.91 111.403 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HG2' ' CH2' ' A' ' 5' ' ' TRP . 3.9 mtpt -60.1 -53.71 54.54 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.183 -1.043 . . . . 0.57 108.183 -177.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.39 24.11 9.3 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.209 0.943 . . . . 0.57 109.435 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.9 t0 . . . . . 0 C--N 1.352 0.711 0 CA-C-N 118.576 0.625 . . . . 0.91 110.91 -178.285 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 109.576 -0.527 . . . . 0.91 109.576 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -150.78 177.33 10.2 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.93 -1.033 . . . . 0.91 109.436 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -145.14 159.92 42.24 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 118.001 -1.0 . . . . 0.57 109.522 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mp -102.33 122.99 45.34 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 108.402 -0.962 . . . . 0.57 108.402 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -56.51 151.24 13.79 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 119.187 0.903 . . . . 0.57 112.344 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.71 29.28 2.37 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 120.779 -0.368 . . . . 0.57 110.913 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -140.16 -51.08 0.48 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-O 118.373 -0.822 . . . . 0.57 109.434 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.8 p -112.47 1.17 15.81 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.799 -1.096 . . . . 0.57 112.969 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 66.73 17.71 10.61 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.066 1.757 . . . . 0.57 113.297 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -82.44 131.66 35.22 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 118.604 0.638 . . . . 0.57 109.606 -177.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.92 113.34 5.56 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.566 -1.207 . . . . 0.57 111.273 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -116.01 142.71 46.44 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.905 1.229 . . . . 0.57 111.578 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.23 140.5 1.53 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.113 0.883 . . . . 0.57 113.316 177.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -64.46 -27.13 68.78 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 114.015 1.117 . . . . 1.2 114.015 174.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -69.58 -6.82 33.57 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.626 -1.178 . . . . 0.57 111.504 176.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.58 166.72 11.89 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 119.535 1.061 . . . . 1.2 108.847 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -131.8 24.24 4.66 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 124.093 0.871 . . . . 0.57 109.345 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -173.35 130.35 0.46 Allowed 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 119.836 1.198 . . . . 0.57 109.451 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.0 t -60.69 129.07 39.7 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 118.769 -1.173 . . . . 0.57 111.18 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -79.86 -20.18 46.55 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 118.847 0.748 . . . . 0.57 112.045 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -73.84 -65.18 0.86 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-O 118.39 -0.814 . . . . 1.2 111.138 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -85.14 -18.51 33.97 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.669 -1.157 . . . . 0.57 109.105 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.25 -12.63 68.65 Favored Glycine 0 C--N 1.356 1.652 0 CA-C-N 120.108 1.322 . . . . 0.57 111.366 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.07 166.39 16.71 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 119.276 1.538 . . . . 0.57 111.23 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.0 174.31 6.39 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.461 -0.896 . . . . 0.91 110.496 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -60.72 -54.22 47.86 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 109.422 -0.585 . . . . 0.57 109.422 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.82 21.1 13.03 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.036 -1.098 . . . . 0.57 108.036 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 C--N 1.35 0.625 0 N-CA-C 115.607 1.706 . . . . 0.91 115.607 -175.116 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 CA--C 1.511 -0.522 0 N-CA-C 108.809 -0.811 . . . . 0.91 108.809 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.61 176.01 12.56 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 118.586 -0.721 . . . . 0.91 109.45 -174.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -144.06 161.2 39.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 117.952 -1.023 . . . . 0.57 109.484 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -104.53 119.85 39.92 Favored 'General case' 0 CA--C 1.502 -0.897 0 O-C-N 125.032 1.458 . . . . 0.57 109.215 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -53.62 146.47 13.13 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.121 0.785 . . . . 0.57 113.121 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.58 28.68 2.22 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.307 -0.871 . . . . 0.57 111.268 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -139.02 -59.68 0.59 Allowed 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.904 -0.776 . . . . 0.57 108.904 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -98.28 -5.03 33.88 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 119.214 0.916 . . . . 0.57 112.251 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t 65.05 20.71 12.13 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 119.85 1.205 . . . . 0.57 112.412 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 tp -95.87 141.14 29.66 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 108.864 -0.791 . . . . 0.57 108.864 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.61 154.1 42.53 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 124.479 1.112 . . . . 0.57 110.885 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.03 138.34 16.65 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 120.137 -0.625 . . . . 0.57 110.63 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.9 138.09 25.15 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.007 0.817 . . . . 0.57 110.717 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -55.36 -27.8 49.75 Favored 'General case' 0 CA--C 1.5 -0.952 0 O-C-N 121.182 -0.948 . . . . 1.2 113.411 174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -22.16 66.7 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.426 -0.91 . . . . 0.57 110.427 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.94 131.34 42.83 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 108.594 -0.891 . . . . 1.2 108.594 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.99 15.43 3.4 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.153 -0.927 . . . . 0.57 111.805 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.68 178.68 0.98 Allowed 'General case' 0 CA--C 1.497 -1.079 0 CA-C-N 120.629 1.559 . . . . 0.57 109.452 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.6 t -83.57 132.51 34.91 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 118.397 0.544 . . . . 0.57 111.165 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -89.27 14.66 10.51 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.833 -1.167 . . . . 0.57 112.865 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.58 -57.7 1.96 Allowed 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 117.983 -1.008 . . . . 1.2 109.331 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.84 -11.93 21.3 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.977 1.262 . . . . 0.57 112.3 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.85 -29.11 6.04 Favored Glycine 0 C--N 1.359 1.853 0 CA-C-N 120.937 1.699 . . . . 0.57 112.581 -176.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 152.65 30.81 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 119.573 1.686 . . . . 0.57 112.089 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -91.23 152.84 20.36 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 119.975 -0.69 . . . . 0.91 111.266 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -19.71 54.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 118.499 -0.762 . . . . 0.57 111.686 175.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.18 23.43 5.76 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.572 -1.204 . . . . 0.57 109.839 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 t0 . . . . . 0 C--N 1.358 0.957 0 CA-C-N 119.834 1.197 . . . . 0.91 109.395 -177.285 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 108.923 -0.769 . . . . 0.91 108.923 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -148.54 175.57 11.05 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.557 1.143 . . . . 0.91 109.638 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -148.39 167.1 26.14 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.378 1.471 . . . . 0.57 110.154 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -119.94 134.28 55.29 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.515 1.126 . . . . 0.57 109.981 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.2 t -64.97 138.16 58.19 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.498 0.719 . . . . 0.57 109.936 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -84.1 19.85 1.71 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.086 0.955 . . . . 0.57 112.583 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.12 -64.59 0.81 Allowed 'General case' 0 C--N 1.341 0.232 0 C-N-CA 124.33 1.052 . . . . 0.57 109.244 -176.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.4 p -95.45 -5.39 43.14 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.408 1.083 . . . . 0.57 113.502 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.8 m 65.14 17.29 10.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.029 1.331 . . . . 0.57 113.329 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tp -78.22 135.02 37.51 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 124.208 1.003 . . . . 0.57 109.795 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.13 154.48 41.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.621 0.369 . . . . 0.57 111.939 171.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -156.62 150.42 24.81 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.027 1.331 . . . . 0.57 110.486 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.19 147.31 35.87 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.893 0.877 . . . . 0.57 111.322 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -31.64 72.47 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.691 -0.631 . . . . 1.2 112.235 175.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -61.18 -30.17 70.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.603 0.761 . . . . 0.57 112.113 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 161.09 2.84 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.761 0.71 . . . . 1.2 110.967 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.58 -45.42 4.43 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.911 0.884 . . . . 0.57 110.594 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -147.61 160.95 42.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.267 1.027 . . . . 0.57 108.888 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 t -64.2 123.66 19.67 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.648 -0.871 . . . . 0.57 108.648 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -76.38 -15.62 59.91 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 119.048 -0.501 . . . . 0.57 111.703 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -80.72 -67.94 0.73 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 123.687 0.795 . . . . 1.2 110.285 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.8 p -83.43 -20.57 33.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.516 0.726 . . . . 0.57 112.694 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.58 -18.08 55.99 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 118.778 -1.012 . . . . 0.57 112.908 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.24 147.09 42.76 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 118.427 1.114 . . . . 0.57 110.331 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -71.24 152.56 43.19 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 110.209 -0.293 . . . . 0.91 110.209 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -56.71 -21.35 27.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.615 0.766 . . . . 0.57 112.663 171.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.54 20.15 18.91 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.554 1.142 . . . . 0.57 112.579 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 CA--C 1.501 -0.914 0 CA-C-O 114.979 -2.439 . . . . 0.91 110.625 -175.627 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.398 0 N-CA-C 109.642 -0.503 . . . . 0.91 109.642 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -151.35 172.94 15.12 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.893 -1.051 . . . . 0.91 109.348 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -143.66 162.07 36.9 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.745 -1.121 . . . . 0.57 110.081 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -103.33 132.57 49.48 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 118.143 -0.932 . . . . 0.57 109.982 -175.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.7 t -68.4 152.65 45.12 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 119.477 1.035 . . . . 0.57 111.754 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.87 27.4 3.14 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.258 0.349 . . . . 0.57 110.751 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -140.31 -51.94 0.49 Allowed 'General case' 0 C--N 1.351 0.658 0 CA-C-O 118.083 -0.961 . . . . 0.57 110.458 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.04 1.01 20.25 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.936 -1.031 . . . . 0.57 111.754 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.1 18.54 11.51 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 121.108 1.776 . . . . 0.57 113.024 177.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -87.6 141.3 28.72 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 118.698 0.681 . . . . 0.57 110.377 -176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 120.82 24.09 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 117.353 -1.308 . . . . 0.57 110.163 -176.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -119.87 150.05 41.09 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 119.736 1.153 . . . . 0.57 112.793 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.36 148.09 7.15 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.982 1.426 . . . . 0.57 110.699 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -27.54 68.95 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 119.64 -0.824 . . . . 1.2 112.864 176.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -76.27 -5.88 48.93 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.572 -1.204 . . . . 0.57 112.311 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.74 135.29 38.0 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 120.502 1.501 . . . . 1.2 108.121 -174.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.02 -24.44 40.78 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 118.156 -0.926 . . . . 0.57 109.794 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -150.93 165.87 32.36 Favored 'General case' 0 CA--C 1.496 -1.098 0 C-N-CA 118.976 -1.09 . . . . 0.57 109.209 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t -60.13 126.24 26.77 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 119.252 -0.979 . . . . 0.57 110.394 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.91 -5.09 52.79 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 118.771 0.714 . . . . 0.57 111.916 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -64.77 1.01 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.142 -0.932 . . . . 1.2 110.479 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.0 p -84.56 -17.66 38.13 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.532 1.06 . . . . 0.57 108.431 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.62 -28.07 12.29 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 119.8 1.182 . . . . 0.57 110.788 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.91 154.81 41.47 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 118.233 1.016 . . . . 0.57 111.888 -173.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.05 156.35 38.79 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 119.141 -1.024 . . . . 0.91 111.098 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -57.11 -24.5 54.58 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 117.945 -1.026 . . . . 0.57 111.117 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.8 15.41 22.72 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.858 0.754 . . . . 0.57 110.923 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 CA--C 1.505 -0.766 0 CA-C-N 118.93 0.786 . . . . 0.91 108.887 178.41 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 CA--C 1.512 -0.512 0 N-CA-C 109.097 -0.705 . . . . 0.91 109.097 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -154.15 178.2 10.25 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 118.941 -0.552 . . . . 0.91 110.011 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 -145.31 163.24 35.12 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 118.128 -0.939 . . . . 0.57 109.529 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.51 126.96 54.09 Favored 'General case' 0 CA--C 1.5 -0.948 0 O-C-N 124.806 1.316 . . . . 0.57 108.491 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.0 t -61.44 152.53 29.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 118.897 -1.121 . . . . 0.57 112.825 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.93 25.06 4.97 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.066 0.394 . . . . 0.57 111.168 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.81 -58.83 0.67 Allowed 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 108.584 -0.895 . . . . 0.57 108.584 -175.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.8 p -102.29 1.02 35.21 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.396 -0.811 . . . . 0.57 112.612 174.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.14 18.47 11.27 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.146 1.339 . . . . 0.57 113.036 176.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -86.83 139.38 30.74 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 109.256 -0.646 . . . . 0.57 109.256 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.76 150.28 44.58 Favored 'General case' 0 CA--C 1.511 -0.543 0 O-C-N 123.929 0.768 . . . . 0.57 111.394 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -152.27 141.27 21.2 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.944 -0.55 . . . . 0.57 110.784 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.89 149.21 5.08 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 123.896 0.747 . . . . 0.57 111.725 -177.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.25 71.36 Favored 'General case' 0 CA--C 1.503 -0.851 0 O-C-N 121.482 -0.762 . . . . 1.2 111.745 176.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -64.63 -25.39 67.94 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 119.717 -0.793 . . . . 0.57 110.824 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.56 156.73 7.82 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.912 -0.715 . . . . 1.2 109.712 -177.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.5 -7.42 14.33 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 117.962 -1.018 . . . . 0.57 112.0 173.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 152.13 4.56 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 120.451 1.478 . . . . 0.57 108.266 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 t -61.33 133.67 56.11 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 119.196 -1.002 . . . . 0.57 110.419 -173.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.59 10.67 22.16 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.889 0.768 . . . . 0.57 111.133 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -113.85 -55.62 2.49 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 118.132 -0.937 . . . . 1.2 109.302 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.8 p -100.5 -9.45 22.07 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 117.184 -1.389 . . . . 0.57 111.531 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 -33.24 4.57 Favored Glycine 0 C--N 1.358 1.76 0 CA-C-N 121.631 2.014 . . . . 0.57 112.936 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.05 151.55 22.02 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 118.866 1.333 . . . . 0.57 111.463 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -93.92 154.57 17.63 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 119.899 -0.72 . . . . 0.91 111.382 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -22.56 40.88 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 118.028 -0.987 . . . . 0.57 112.59 175.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.64 17.26 24.18 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 118.512 -0.756 . . . . 0.57 109.871 177.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.355 0.814 0 CA-C-N 119.515 1.052 . . . . 0.91 110.856 178.836 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 108.551 -0.907 . . . . 0.91 108.551 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.4 p30 -152.9 177.7 10.47 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 118.199 -0.905 . . . . 0.91 109.859 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -143.16 165.9 26.15 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 117.625 -1.179 . . . . 0.57 109.248 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -112.88 127.66 56.25 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.51 1.131 . . . . 0.57 108.938 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.8 t -59.42 152.89 20.42 Favored 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 118.984 -1.087 . . . . 0.57 111.695 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.55 20.11 10.06 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 118.976 -0.535 . . . . 0.57 110.946 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.77 -61.24 0.9 Allowed 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.557 -0.905 . . . . 0.57 108.557 -177.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 p -99.16 0.74 44.04 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 118.117 -0.944 . . . . 0.57 112.789 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 m 63.28 16.42 9.44 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 120.183 1.356 . . . . 0.57 113.574 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.76 131.03 35.25 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 108.111 -1.07 . . . . 0.57 108.111 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.06 149.71 48.43 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 118.248 -0.882 . . . . 0.57 111.758 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -152.96 138.61 17.83 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.085 -0.646 . . . . 0.57 112.501 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -55.6 147.96 17.0 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 120.559 -0.456 . . . . 0.57 111.375 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.5 -28.86 69.6 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 119.314 -0.954 . . . . 1.2 111.829 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -59.12 -24.89 63.38 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 119.423 -0.911 . . . . 0.57 110.608 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -65.74 161.49 20.66 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 120.178 -0.609 . . . . 1.2 109.381 -176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.64 3.55 13.09 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 117.841 -1.076 . . . . 0.57 112.212 173.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -178.38 157.95 1.08 Allowed 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 120.455 1.48 . . . . 0.57 107.659 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 t -66.8 127.14 31.32 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 118.753 -1.179 . . . . 0.57 110.605 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -79.88 -8.07 59.09 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 118.445 -0.788 . . . . 0.57 111.587 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -90.49 -63.05 1.33 Allowed 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.985 0.811 . . . . 1.2 109.917 -178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.9 -16.92 34.54 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.698 -1.144 . . . . 0.57 109.588 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.02 -19.77 47.04 Favored Glycine 0 C--N 1.357 1.733 0 CA-C-N 120.217 1.371 . . . . 0.57 111.174 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 152.54 37.16 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 118.941 1.37 . . . . 0.57 110.159 -173.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -75.6 154.7 36.54 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.342 -0.943 . . . . 0.91 112.318 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -21.63 27.96 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-O 117.986 -1.007 . . . . 0.57 112.748 174.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.7 20.27 18.96 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.236 0.925 . . . . 0.57 109.937 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.352 0.698 0 CA-C-N 119.198 0.908 . . . . 0.91 111.575 -179.89 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 121.171 0.51 . . . . 0.91 110.145 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -151.96 179.71 8.22 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 119.069 -0.491 . . . . 0.91 110.147 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -146.79 164.86 31.44 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 118.517 -0.754 . . . . 0.57 109.861 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 tp -107.19 128.13 54.14 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 125.121 1.513 . . . . 0.57 110.434 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.65 144.07 53.02 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 119.597 -0.841 . . . . 0.57 112.77 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -95.79 33.18 1.71 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 122.096 -0.377 . . . . 0.57 111.401 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -140.65 -59.92 0.51 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 118.896 -0.573 . . . . 0.57 109.512 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.1 p -96.69 -1.38 46.71 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 118.863 -0.589 . . . . 0.57 111.511 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 68.48 13.37 8.96 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 119.195 0.907 . . . . 0.57 110.952 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.75 135.74 38.26 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 118.786 0.721 . . . . 0.57 109.57 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -79.81 150.78 30.6 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 118.792 -0.623 . . . . 0.57 112.16 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -146.98 146.51 30.11 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 119.971 -0.692 . . . . 0.57 111.685 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.25 149.55 7.1 Favored 'General case' 0 CA--C 1.51 -0.559 0 O-C-N 124.694 1.246 . . . . 0.57 111.595 -178.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -25.15 67.67 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 112.763 0.653 . . . . 1.2 112.763 177.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -69.06 -19.96 64.1 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 123.982 0.801 . . . . 0.57 112.446 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.92 126.99 31.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 119.581 -0.848 . . . . 1.2 108.753 -176.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -86.38 6.33 30.63 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 117.72 -1.133 . . . . 0.57 109.568 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -177.15 149.54 0.69 Allowed 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 119.79 1.177 . . . . 0.57 109.315 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.56 127.89 31.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.352 -0.939 . . . . 0.57 111.589 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -86.6 6.5 30.6 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.686 0.675 . . . . 0.57 111.768 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.37 -52.98 2.71 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 118.07 -0.967 . . . . 1.2 111.349 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p -98.45 -15.82 19.47 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 117.673 -1.156 . . . . 0.57 111.058 176.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.63 -32.93 5.46 Favored Glycine 0 C--N 1.357 1.696 0 CA-C-N 120.115 1.325 . . . . 0.57 111.792 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.38 148.45 37.17 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 117.622 0.711 . . . . 0.57 112.172 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.92 155.54 39.77 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 112.767 0.654 . . . . 0.91 112.767 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -18.86 45.62 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 117.908 -1.044 . . . . 0.57 111.946 176.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.49 25.24 11.45 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.472 -0.775 . . . . 0.57 110.204 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--N 1.354 0.764 0 CA-C-O 117.125 -1.417 . . . . 0.91 107.479 -179.539 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 109.047 -0.723 . . . . 0.91 109.047 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -149.97 177.73 9.59 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.283 -0.865 . . . . 0.91 109.557 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -145.63 163.65 34.18 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 117.802 -1.094 . . . . 0.57 109.681 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.5 125.1 50.85 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.43 1.081 . . . . 0.57 108.961 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.55 152.03 15.72 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.22 -0.992 . . . . 0.57 112.476 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.7 24.91 4.32 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 119.384 -0.341 . . . . 0.57 110.886 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -137.81 -53.43 0.65 Allowed 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.645 -0.693 . . . . 0.57 109.225 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.4 p -108.58 0.44 20.77 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 117.822 -1.085 . . . . 0.57 113.109 172.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t 64.39 17.84 11.0 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.036 1.743 . . . . 0.57 113.702 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -79.47 139.51 37.61 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.093 -1.077 . . . . 0.57 108.093 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.14 146.74 41.1 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 118.225 -0.893 . . . . 0.57 109.927 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -150.21 145.35 26.2 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 119.03 0.832 . . . . 0.57 111.472 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.9 145.63 19.56 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 123.855 0.722 . . . . 0.57 111.398 -176.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -62.06 -27.76 69.13 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 113.644 0.979 . . . . 1.2 113.644 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -22.19 64.29 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 119.089 -1.044 . . . . 0.57 111.526 175.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 166.96 15.51 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 119.209 -0.996 . . . . 1.2 109.999 -174.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -136.56 25.24 3.15 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.083 0.865 . . . . 0.57 111.314 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -173.41 129.88 0.45 Allowed 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 118.448 -1.301 . . . . 0.57 109.256 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.37 130.76 44.46 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 117.998 -1.481 . . . . 0.57 110.843 -173.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -79.12 -18.41 53.31 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.979 -0.688 . . . . 0.57 111.466 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -74.41 -63.1 1.31 Allowed 'General case' 0 C--N 1.35 0.612 0 CA-C-O 119.186 -0.435 . . . . 1.2 110.648 -178.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.9 p -88.23 -19.24 27.09 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.829 -1.081 . . . . 0.57 108.593 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.0 -6.64 82.63 Favored Glycine 0 C--N 1.357 1.719 0 CA-C-O 117.653 -1.637 . . . . 0.57 110.948 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.02 164.48 16.45 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 119.937 1.868 . . . . 0.57 110.613 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.0 173.4 8.46 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.524 -0.87 . . . . 0.91 109.919 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -60.88 -53.13 61.03 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.045 -0.724 . . . . 0.57 109.045 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.67 22.09 12.44 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.635 -0.876 . . . . 0.57 108.635 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.35 0.626 0 CA-C-O 117.967 -1.016 . . . . 0.91 113.661 -176.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 109.587 -0.523 . . . . 0.91 109.587 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -152.59 176.93 11.19 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 118.427 -0.797 . . . . 0.91 109.683 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -143.54 162.21 36.45 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 117.896 -1.05 . . . . 0.57 109.432 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.22 127.46 54.26 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 124.674 1.234 . . . . 0.57 108.937 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.6 t -61.43 151.44 32.55 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 118.894 -1.122 . . . . 0.57 112.363 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -94.23 24.97 4.04 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.979 0.809 . . . . 0.57 111.926 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 -60.7 0.72 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.415 -0.957 . . . . 0.57 108.415 -175.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -99.42 -0.46 40.84 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 118.35 -0.833 . . . . 0.57 112.321 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.33 18.37 11.27 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.066 1.303 . . . . 0.57 113.042 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tp -85.45 138.41 32.25 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 109.046 -0.724 . . . . 0.57 109.046 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.86 150.3 42.78 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 123.997 0.81 . . . . 0.57 111.261 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -153.64 143.09 21.65 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.783 -0.627 . . . . 0.57 111.035 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.07 151.57 6.81 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 123.834 0.709 . . . . 0.57 111.199 -175.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -68.64 -24.88 64.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 113.446 0.906 . . . . 1.2 113.446 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -70.17 -18.25 63.19 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.357 -0.609 . . . . 0.57 109.357 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.95 174.3 3.11 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.265 -0.974 . . . . 1.2 109.531 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.76 -50.14 2.79 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 117.236 -1.364 . . . . 0.57 110.058 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -138.19 164.69 28.55 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-N 120.794 1.633 . . . . 0.57 107.905 -174.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.83 132.82 48.84 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 118.975 -1.09 . . . . 0.57 111.087 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -89.48 7.82 34.14 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.552 -0.737 . . . . 0.57 111.86 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -108.86 -55.5 2.39 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 118.141 -0.933 . . . . 1.2 109.554 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p -100.11 -11.3 20.62 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-O 117.095 -1.431 . . . . 0.57 111.575 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.56 -33.0 4.98 Favored Glycine 0 C--N 1.359 1.815 0 CA-C-N 121.622 2.01 . . . . 0.57 112.678 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.03 150.22 17.47 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 118.46 1.13 . . . . 0.57 112.028 -176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -80.46 155.16 27.2 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 119.49 -0.884 . . . . 0.91 110.273 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -19.53 63.29 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 118.198 -0.906 . . . . 0.57 112.123 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.33 27.53 9.41 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.622 -0.704 . . . . 0.57 109.526 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.353 0.745 0 N-CA-C 108.187 -1.042 . . . . 0.91 108.187 -179.102 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.222 -0.389 0 N-CA-C 107.891 -1.151 . . . . 0.91 107.891 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -152.59 177.06 11.06 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 121.085 -1.009 . . . . 0.91 110.46 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -144.72 164.28 31.48 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 117.989 -1.005 . . . . 0.57 109.359 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -109.52 132.33 54.24 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 124.682 1.239 . . . . 0.57 109.256 -176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -65.58 153.78 40.59 Favored 'General case' 0 CA--C 1.506 -0.743 0 C-N-CA 118.998 -1.081 . . . . 0.57 112.149 -177.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.95 23.77 6.09 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 123.338 0.399 . . . . 0.57 110.738 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -138.28 -56.79 0.65 Allowed 'General case' 0 C--N 1.351 0.655 0 N-CA-C 108.735 -0.839 . . . . 0.57 108.735 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.8 -1.37 29.9 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-O 118.062 -0.97 . . . . 0.57 112.972 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.92 16.78 10.72 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.837 1.653 . . . . 0.57 113.339 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 tp -82.39 142.32 32.07 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.782 -1.192 . . . . 0.57 107.782 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.37 151.82 36.5 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 118.37 -0.824 . . . . 0.57 110.38 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -152.76 147.82 26.51 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 119.148 0.885 . . . . 0.57 111.898 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.31 146.11 35.52 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.542 0.526 . . . . 0.57 110.807 -173.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -56.06 -28.92 59.52 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 114.465 1.283 . . . . 1.2 114.465 173.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -21.47 61.15 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 120.62 -0.432 . . . . 0.57 110.602 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 160.5 10.44 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 119.793 -0.763 . . . . 1.2 109.326 -175.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.76 -30.17 10.08 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 117.691 -1.147 . . . . 0.57 111.593 173.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -156.49 160.05 39.18 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 120.523 1.511 . . . . 0.57 107.871 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 t -63.75 128.58 36.47 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 118.439 -1.304 . . . . 0.57 109.929 -173.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -79.85 -3.98 50.23 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 118.394 -0.813 . . . . 0.57 111.491 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.88 -62.21 1.39 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 118.867 0.758 . . . . 1.2 109.821 -177.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.2 p -89.1 -17.47 29.2 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.519 -1.229 . . . . 0.57 108.432 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.59 -16.3 59.45 Favored Glycine 0 C--N 1.356 1.682 0 CA-C-N 120.134 1.333 . . . . 0.57 111.063 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.69 152.53 33.68 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 118.973 1.387 . . . . 0.57 110.257 -172.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.55 153.95 38.83 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.396 -0.922 . . . . 0.91 110.223 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -58.17 -21.16 46.06 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 118.389 -0.815 . . . . 0.57 111.589 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.21 23.94 8.55 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.294 -0.86 . . . . 0.57 109.296 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--N 1.354 0.799 0 CA-C-N 119.933 1.242 . . . . 0.91 109.691 -178.526 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--O 1.221 -0.416 0 N-CA-C 108.416 -0.957 . . . . 0.91 108.416 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.46 -178.75 7.57 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.969 -1.015 . . . . 0.91 109.282 -174.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -155.16 166.0 34.95 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.526 -1.226 . . . . 0.57 109.595 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -112.04 132.64 54.69 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 124.534 1.146 . . . . 0.57 109.699 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.57 151.2 45.28 Favored 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 118.534 -1.266 . . . . 0.57 111.099 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -97.32 31.43 2.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.465 0.478 . . . . 0.57 110.821 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.93 -58.92 0.47 Allowed 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.625 -0.702 . . . . 0.57 109.416 -178.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.98 -0.58 44.48 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-O 117.74 -1.124 . . . . 0.57 111.874 173.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.4 m 65.46 18.43 11.29 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.425 1.466 . . . . 0.57 112.136 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.89 136.35 33.13 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 109.164 -0.68 . . . . 0.57 109.164 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -77.92 115.01 17.34 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 117.206 -1.378 . . . . 0.57 111.851 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -115.25 151.37 34.62 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.876 1.217 . . . . 0.57 109.052 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.27 157.12 20.31 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 123.753 0.658 . . . . 0.57 110.642 -176.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -65.87 -33.92 76.94 Favored 'General case' 0 CA--C 1.499 -1.015 0 O-C-N 121.367 -0.833 . . . . 1.2 111.888 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -57.44 -23.07 47.45 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 119.069 -1.052 . . . . 0.57 112.06 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.86 109.37 8.27 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 119.145 0.884 . . . . 1.2 108.719 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -34.86 61.83 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.478 0.581 . . . . 0.57 111.26 174.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -135.94 177.88 7.49 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 117.992 -1.004 . . . . 0.57 110.505 -174.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 t -76.47 134.61 39.47 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 118.277 -0.868 . . . . 0.57 112.274 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.05 8.07 31.68 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 118.957 0.799 . . . . 0.57 112.966 178.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -113.05 -55.36 2.53 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 117.965 -1.017 . . . . 1.2 109.594 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 p -97.64 -12.37 22.51 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 117.137 -1.411 . . . . 0.57 111.339 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 -37.46 3.38 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-N 121.234 1.834 . . . . 0.57 112.272 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.62 148.23 12.89 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 118.053 0.926 . . . . 0.57 112.439 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.44 154.03 42.32 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 119.62 -0.832 . . . . 0.91 112.377 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -59.73 -21.19 60.33 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 118.161 -0.923 . . . . 0.57 112.039 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.93 25.24 12.02 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 118.138 -0.934 . . . . 0.57 109.52 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 41.5 t0 . . . . . 0 C--N 1.354 0.791 0 CA-C-N 119.831 1.196 . . . . 0.91 108.001 -178.312 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 109.882 -0.414 . . . . 0.91 109.882 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -151.08 176.76 10.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.922 -0.561 . . . . 0.91 109.681 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -142.16 163.01 34.02 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 117.815 -1.088 . . . . 0.57 109.875 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.38 130.22 49.07 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 125.092 1.495 . . . . 0.57 109.151 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.87 151.2 47.53 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 118.94 -1.104 . . . . 0.57 112.428 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -94.76 25.69 3.93 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.27 0.487 . . . . 0.57 111.375 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -135.99 -58.37 0.76 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 109.018 -0.734 . . . . 0.57 109.018 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 p -104.08 1.1 30.52 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.999 -1.001 . . . . 0.57 112.349 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 64.13 19.04 11.6 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.222 1.374 . . . . 0.57 113.288 175.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tp -87.93 147.91 24.84 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 109.29 -0.633 . . . . 0.57 109.29 -177.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.49 142.24 39.22 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 124.15 0.906 . . . . 0.57 111.285 176.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -141.4 146.99 37.27 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.509 0.595 . . . . 0.57 111.102 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.98 147.55 19.47 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.273 0.983 . . . . 0.57 110.087 -174.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -62.35 -25.83 68.12 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 119.422 1.01 . . . . 1.2 112.245 175.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -20.76 62.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.993 -0.683 . . . . 0.57 109.636 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.86 145.91 55.38 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.625 -0.83 . . . . 1.2 108.851 -173.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.95 -25.71 16.42 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 117.569 -1.205 . . . . 0.57 110.637 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -149.36 159.61 44.13 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-N 120.322 1.419 . . . . 0.57 108.144 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 t -62.44 133.24 54.74 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 118.844 -1.142 . . . . 0.57 109.674 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -88.14 8.01 28.95 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 118.623 -0.703 . . . . 0.57 111.956 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -112.96 -56.75 2.38 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-O 118.2 -0.905 . . . . 1.2 109.449 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.1 p -98.68 -11.05 22.37 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.245 -1.359 . . . . 0.57 111.668 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.31 -34.72 4.04 Favored Glycine 0 C--N 1.358 1.79 0 CA-C-N 121.446 1.93 . . . . 0.57 112.618 -177.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.28 157.14 5.08 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 119.194 1.497 . . . . 0.57 112.676 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -91.61 174.25 7.46 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 120.766 -0.374 . . . . 0.91 110.491 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -60.59 -52.17 66.32 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.904 -0.776 . . . . 0.57 108.904 -175.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 26.49 8.43 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.225 -1.028 . . . . 0.57 108.225 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.354 0.789 0 CA-C-O 117.213 -1.375 . . . . 0.91 108.903 -177.31 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -103.94 95.86 6.29 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 108.767 -0.827 . . . . 0.57 108.767 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -86.5 59.96 5.94 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 119.05 0.841 . . . . 0.57 110.732 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.59 61.22 0.21 Allowed 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 119.821 -0.752 . . . . 0.91 110.024 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -151.29 177.36 10.32 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 121.461 -0.774 . . . . 0.91 110.195 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 -148.51 168.37 22.92 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 117.037 -1.458 . . . . 0.57 109.777 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 pp -119.71 134.47 55.22 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 124.89 1.369 . . . . 0.57 111.147 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.0 t -65.57 147.76 52.88 Favored 'General case' 0 CA--C 1.504 -0.819 0 C-N-CA 118.933 -1.107 . . . . 0.57 111.078 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -90.91 23.18 3.27 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 119.087 -0.483 . . . . 0.57 111.58 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 -62.1 0.77 Allowed 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.225 -1.028 . . . . 0.57 108.225 -177.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.3 p -95.53 -1.01 51.45 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 118.52 -0.753 . . . . 0.57 112.697 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m 68.1 15.38 9.42 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.683 1.128 . . . . 0.57 113.994 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -84.19 141.48 31.0 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-O 118.604 -0.712 . . . . 0.57 109.59 -175.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.46 160.45 30.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.932 -0.556 . . . . 0.57 112.214 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -161.31 153.53 19.96 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.786 -0.766 . . . . 0.57 111.592 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.26 148.77 43.83 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.016 0.822 . . . . 0.57 110.898 -174.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -31.71 72.58 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 112.748 0.647 . . . . 1.2 112.748 175.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.2 -24.47 67.37 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 119.511 -0.875 . . . . 0.57 111.528 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 170.75 0.56 Allowed 'General case' 0 C--N 1.349 0.548 0 C-N-CA 119.705 -0.798 . . . . 1.2 110.042 -176.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.98 -37.81 3.78 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 117.19 -1.386 . . . . 0.57 110.358 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -154.39 162.03 41.39 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 121.379 1.899 . . . . 0.57 107.113 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 t -63.97 127.13 30.05 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 118.634 -1.226 . . . . 0.57 110.343 -174.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -79.23 -11.03 59.95 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 118.508 -0.758 . . . . 0.57 111.184 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -85.19 -64.53 1.14 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.772 0.715 . . . . 1.2 110.194 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 p -86.5 -17.33 34.44 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 117.643 -1.17 . . . . 0.57 109.811 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.56 -17.53 58.32 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-N 120.184 1.357 . . . . 0.57 111.398 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.77 154.7 29.74 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 119.124 1.462 . . . . 0.57 110.634 -173.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -78.19 153.15 32.25 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 119.568 -0.853 . . . . 0.91 111.285 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -59.58 -20.78 58.18 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 118.014 -0.993 . . . . 0.57 110.762 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.83 24.86 12.05 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.02 0.827 . . . . 0.57 109.78 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 58.01 -96.57 0.07 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.28 0.946 . . . . 0.91 110.032 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.597 0 CA-C-N 121.259 1.845 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.96 99.21 8.97 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 108.478 -0.934 . . . . 0.57 108.478 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -89.67 55.34 3.16 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 119.366 0.985 . . . . 0.57 110.553 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.73 65.12 0.14 Allowed 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.642 -0.503 . . . . 0.91 109.642 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -153.01 178.53 9.6 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 118.007 -0.996 . . . . 0.91 109.142 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -149.65 165.02 33.59 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 117.749 -1.119 . . . . 0.57 109.63 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.29 134.78 51.36 Favored 'General case' 0 CA--C 1.501 -0.91 0 O-C-N 124.454 1.096 . . . . 0.57 109.814 -176.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.31 152.76 41.91 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 118.92 -1.112 . . . . 0.57 112.087 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.44 29.18 3.35 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 123.654 0.596 . . . . 0.57 110.71 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -139.31 -59.51 0.58 Allowed 'General case' 0 C--N 1.35 0.589 0 N-CA-C 108.87 -0.789 . . . . 0.57 108.87 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.0 p -101.49 -0.78 34.53 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.855 -1.069 . . . . 0.57 111.743 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.0 m 63.47 22.43 13.22 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.461 1.482 . . . . 0.57 111.983 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.82 136.91 35.62 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 109.064 -0.717 . . . . 0.57 109.064 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -70.2 149.07 47.88 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 117.972 -1.013 . . . . 0.57 111.928 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -147.06 151.34 36.73 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.382 0.992 . . . . 0.57 111.324 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.5 149.72 20.43 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 124.385 1.053 . . . . 0.57 110.925 -174.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -24.93 66.63 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 113.946 1.091 . . . . 1.2 113.946 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -74.3 -11.77 60.36 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 118.048 -0.977 . . . . 0.57 109.143 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 130.26 35.33 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.575 1.079 . . . . 1.2 109.316 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.69 13.57 6.94 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.689 -1.148 . . . . 0.57 111.516 173.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -174.43 172.8 3.09 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 121.542 1.973 . . . . 0.57 108.966 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 t -81.95 132.36 35.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 118.93 -1.108 . . . . 0.57 110.804 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.55 11.48 19.44 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.938 0.79 . . . . 0.57 111.529 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.85 -56.63 2.36 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 118.132 -0.937 . . . . 1.2 109.686 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 p -98.04 -12.06 22.29 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 117.081 -1.438 . . . . 0.57 111.206 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.48 -38.3 3.21 Favored Glycine 0 C--N 1.356 1.693 0 CA-C-N 121.319 1.872 . . . . 0.57 112.37 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.9 158.76 3.56 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 118.457 1.129 . . . . 0.57 113.108 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -86.23 174.45 9.09 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.98 -0.688 . . . . 0.91 110.228 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -62.15 -53.3 57.28 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.703 -0.48 . . . . 0.57 109.703 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.96 19.48 16.12 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 107.96 -1.126 . . . . 0.57 107.96 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 59.39 -37.64 0.07 Allowed 'General case' 0 C--N 1.349 0.576 0 N-CA-C 116.501 2.038 . . . . 0.91 116.501 -175.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.626 0 CA-C-N 123.81 3.005 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.483 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -100.85 100.36 11.0 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 107.437 -1.32 . . . . 0.57 107.437 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -91.0 50.94 1.86 Allowed 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 119.895 -0.722 . . . . 0.57 109.215 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -160.06 61.02 0.35 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.179 0.9 . . . . 0.91 108.593 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -154.84 176.53 12.37 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.142 -0.932 . . . . 0.91 109.543 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -151.27 161.75 42.15 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 118.022 -0.989 . . . . 0.57 110.018 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.15 139.84 40.04 Favored 'General case' 0 CA--C 1.504 -0.811 0 O-C-N 124.141 0.901 . . . . 0.57 111.589 -177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.3 t -77.91 151.16 33.9 Favored 'General case' 0 CA--C 1.506 -0.735 0 C-N-CA 118.929 -1.109 . . . . 0.57 110.753 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.45 30.92 2.38 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 123.617 0.573 . . . . 0.57 110.231 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -141.28 -56.34 0.49 Allowed 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.91 -1.043 . . . . 0.57 109.828 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.9 p -100.93 -1.17 35.21 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.5 1.045 . . . . 0.57 111.616 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 20.62 10.46 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.794 1.634 . . . . 0.57 112.076 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -96.13 141.78 29.09 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.051 0.841 . . . . 0.57 108.779 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.82 116.23 23.94 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 117.655 -1.164 . . . . 0.57 110.535 -176.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -113.34 152.05 30.43 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 119.734 1.152 . . . . 0.57 111.129 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.42 151.85 35.91 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.053 0.846 . . . . 0.57 108.825 -175.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -20.59 59.11 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 114.327 1.232 . . . . 1.2 114.327 173.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -8.69 59.75 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 118.24 -0.886 . . . . 0.57 108.622 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.47 109.31 13.71 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.611 -1.996 . . . . 1.2 105.611 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -60.26 -23.43 64.1 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-O 117.781 -1.104 . . . . 0.57 109.502 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -149.59 161.82 41.4 Favored 'General case' 0 CA--C 1.497 -1.063 0 C-N-CA 118.862 -1.135 . . . . 0.57 109.961 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 t -59.47 131.77 51.96 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 119.094 -1.043 . . . . 0.57 109.8 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -89.04 10.11 22.84 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.146 0.884 . . . . 0.57 112.371 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.5 -56.22 2.41 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 117.564 -1.208 . . . . 1.2 109.419 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 p -94.85 -14.61 24.43 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.105 -1.426 . . . . 0.57 111.323 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.74 -38.04 3.27 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-N 121.218 1.826 . . . . 0.57 111.883 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.29 149.7 7.04 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 118.553 1.177 . . . . 0.57 113.066 -178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.62 156.23 35.11 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 119.637 -0.825 . . . . 0.91 110.88 -177.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -60.52 -21.67 62.74 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.414 -0.803 . . . . 0.57 111.92 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.3 17.92 21.34 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.965 -1.017 . . . . 0.57 110.756 177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -128.76 -10.76 4.94 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.528 -1.225 . . . . 0.91 113.907 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.75 0 CA-C-N 123.117 2.69 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.467 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -95.65 50.76 1.23 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 109.052 -0.721 . . . . 0.57 109.052 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.18 62.77 6.82 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 108.622 -0.881 . . . . 0.57 108.622 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 68.24 64.38 0.35 Allowed 'General case' 0 C--N 1.349 0.583 0 N-CA-C 109.159 -0.682 . . . . 0.91 109.159 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.6 173.77 14.78 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.18 -0.914 . . . . 0.91 109.325 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -145.71 165.78 27.78 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.381 -0.818 . . . . 0.57 110.105 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 tp -106.91 127.54 53.52 Favored 'General case' 0 CA--C 1.504 -0.797 0 O-C-N 124.659 1.224 . . . . 0.57 109.584 -176.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.6 t -67.95 149.27 49.97 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.147 1.166 . . . . 0.57 114.147 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.29 28.3 3.73 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 117.917 0.326 . . . . 0.57 110.979 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.61 -64.5 0.49 Allowed 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.871 -0.788 . . . . 0.57 108.871 -175.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.8 p -92.51 -2.53 56.16 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 120.015 -0.674 . . . . 0.57 111.879 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 68.33 22.84 7.86 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 119.054 0.843 . . . . 0.57 112.109 175.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tp -106.63 145.61 31.73 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.846 0.748 . . . . 0.57 109.429 -176.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.61 161.55 30.63 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 118.396 -0.812 . . . . 0.57 111.748 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -154.83 148.11 24.96 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 120.253 -0.579 . . . . 0.57 110.945 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.56 149.37 25.73 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.174 0.922 . . . . 0.57 110.806 -175.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -61.41 -31.07 70.98 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 119.439 -0.904 . . . . 1.2 112.613 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -68.78 -18.52 64.21 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 119.329 -0.948 . . . . 0.57 112.039 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.09 104.04 2.91 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 107.549 -1.278 . . . . 1.2 107.549 -175.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -27.54 13.72 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 113.494 0.924 . . . . 0.57 113.494 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -144.61 -179.59 6.66 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 106.671 -1.603 . . . . 0.57 106.671 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -79.53 147.25 32.24 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 119.267 -0.973 . . . . 0.57 112.651 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -92.88 20.96 6.05 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.859 0.754 . . . . 0.57 112.52 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -130.77 -56.27 1.06 Allowed 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 117.697 -1.145 . . . . 1.2 108.985 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.6 p -105.23 -1.17 25.66 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.795 1.18 . . . . 0.57 112.537 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.88 24.28 57.59 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-N 121.24 1.836 . . . . 0.57 114.786 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.9 144.46 26.21 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.567 1.684 . . . . 0.57 109.364 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.89 157.11 25.63 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 120.047 -0.661 . . . . 0.91 109.824 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -66.16 -51.52 57.09 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 120.14 -0.624 . . . . 0.57 109.807 -172.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.33 24.76 9.81 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.003 -1.11 . . . . 0.57 108.003 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 58.45 -1.83 0.09 Allowed 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.696 1.369 . . . . 0.91 114.696 -174.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.633 0 CA-C-N 123.693 2.952 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.51 108.12 18.9 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 108.545 -0.909 . . . . 0.57 108.545 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -92.04 45.98 1.24 Allowed 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.274 -0.639 . . . . 0.57 109.274 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.31 60.0 0.9 Allowed 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 108.134 -1.062 . . . . 0.91 108.134 -177.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.87 178.52 0.17 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.385 -0.825 . . . . 0.91 111.694 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.8 p-90 -135.89 166.12 24.05 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.905 -1.045 . . . . 0.57 110.533 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mp -114.59 127.95 56.06 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.52 1.137 . . . . 0.57 110.895 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 t -57.75 152.62 15.23 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 118.721 -1.192 . . . . 0.57 110.635 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -95.74 25.74 4.44 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.483 0.489 . . . . 0.57 111.014 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.69 -59.24 0.67 Allowed 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 108.676 -0.861 . . . . 0.57 108.676 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.86 -1.28 37.86 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-O 118.247 -0.882 . . . . 0.57 112.379 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t 63.5 18.75 11.28 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 120.137 1.335 . . . . 0.57 113.495 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tp -83.42 123.25 29.5 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 106.809 -1.552 . . . . 0.57 106.809 -176.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.02 144.53 56.67 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 118.092 -0.956 . . . . 0.57 111.451 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -148.04 134.46 19.64 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.547 -0.739 . . . . 0.57 111.375 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.88 145.91 1.84 Allowed 'General case' 0 C--N 1.354 0.768 0 O-C-N 123.991 0.807 . . . . 0.57 112.142 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -30.85 70.72 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.951 -0.7 . . . . 1.2 110.919 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.88 -34.89 4.12 Favored 'General case' 0 C--O 1.221 -0.429 0 O-C-N 123.574 0.546 . . . . 0.57 110.77 174.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -72.15 163.01 28.66 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 120.138 -0.625 . . . . 1.2 109.726 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.63 -32.18 6.53 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 117.071 -1.442 . . . . 0.57 111.102 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -145.01 153.56 41.61 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 121.265 1.848 . . . . 0.57 107.159 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 t -62.29 128.98 38.62 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 119.037 -1.065 . . . . 0.57 110.535 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -78.2 -20.01 52.71 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 120.146 -0.622 . . . . 0.57 110.566 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.23 -63.69 1.18 Allowed 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.127 -0.94 . . . . 1.2 110.942 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.25 -19.32 30.13 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.555 -1.212 . . . . 0.57 109.526 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.14 -12.15 70.31 Favored Glycine 0 C--N 1.356 1.668 0 CA-C-N 120.169 1.349 . . . . 0.57 111.863 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.92 158.62 21.52 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 118.147 0.974 . . . . 0.57 109.845 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -69.11 152.94 44.54 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 120.082 -0.647 . . . . 0.91 110.863 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.24 60.46 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 118.039 -0.982 . . . . 0.57 111.703 174.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.46 27.27 9.71 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.846 0.748 . . . . 0.57 110.467 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -129.18 142.13 50.96 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 107.932 -1.136 . . . . 0.91 107.932 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.435 0 CA-C-N 119.548 1.067 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -92.7 56.68 2.72 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.055 -1.091 . . . . 0.57 108.055 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -89.82 35.45 0.84 Allowed 'General case' 0 C--N 1.351 0.651 0 N-CA-C 109.064 -0.717 . . . . 0.57 109.064 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -168.45 56.65 0.06 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.88 1.218 . . . . 0.91 108.813 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.18 178.12 10.56 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.945 -1.026 . . . . 0.91 108.354 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -149.19 168.02 24.4 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.164 -1.398 . . . . 0.57 109.729 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.98 145.13 46.06 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.668 1.23 . . . . 0.57 110.942 -176.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.8 t -82.95 145.02 29.61 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 118.655 -1.218 . . . . 0.57 111.57 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.87 27.51 2.08 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 118.692 0.678 . . . . 0.57 111.018 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.31 -59.56 0.82 Allowed 'General case' 0 C--N 1.35 0.611 0 N-CA-C 108.833 -0.803 . . . . 0.57 108.833 -176.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 p -102.37 2.07 36.26 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-O 118.556 -0.735 . . . . 0.57 112.217 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.87 18.71 10.66 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.682 1.128 . . . . 0.57 112.99 175.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tp -94.05 144.76 25.19 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 118.685 0.675 . . . . 0.57 110.052 -176.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.67 164.03 26.28 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 123.831 0.707 . . . . 0.57 111.766 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -161.0 145.68 13.85 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 120.29 -0.564 . . . . 0.57 111.735 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.68 148.24 7.54 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 123.86 0.725 . . . . 0.57 112.701 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -30.35 70.01 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 112.917 0.71 . . . . 1.2 112.917 174.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -19.08 62.96 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 118.278 -0.868 . . . . 0.57 111.195 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 168.23 18.84 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 119.277 -0.969 . . . . 1.2 110.719 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -136.17 25.67 3.25 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.053 0.846 . . . . 0.57 110.053 176.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -174.69 139.22 0.53 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 119.891 1.223 . . . . 0.57 109.647 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 t -65.32 134.95 54.68 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 118.514 -1.274 . . . . 0.57 110.169 -173.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -90.42 8.56 33.07 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.957 0.799 . . . . 0.57 112.258 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -110.39 -55.72 2.43 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 117.996 -1.002 . . . . 1.2 108.937 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.8 p -100.92 -10.71 20.37 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-O 116.947 -1.502 . . . . 0.57 111.839 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.33 -35.33 4.07 Favored Glycine 0 C--N 1.357 1.728 0 CA-C-N 121.766 2.075 . . . . 0.57 112.418 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.58 150.74 4.77 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 118.161 0.98 . . . . 0.57 112.643 -174.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -78.76 150.33 32.44 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 119.713 -0.795 . . . . 0.91 111.455 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -20.87 63.66 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.974 -1.012 . . . . 0.57 112.147 174.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.65 24.68 11.85 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.859 0.754 . . . . 0.57 109.797 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -75.44 98.74 3.98 Favored 'General case' 0 CA--C 1.509 -0.634 0 O-C-N 121.544 -0.723 . . . . 0.91 109.251 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.505 0 CA-C-N 119.288 0.949 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.424 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -113.14 -168.49 1.33 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.511 -0.922 . . . . 0.57 108.511 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -79.99 58.55 2.96 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 117.873 0.306 . . . . 0.57 110.39 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 72.0 64.51 0.14 Allowed 'General case' 0 C--N 1.349 0.576 0 C-N-CA 120.577 -0.449 . . . . 0.91 110.234 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.22 175.5 12.11 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.278 -0.868 . . . . 0.91 109.702 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -147.01 166.36 27.06 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 117.398 -1.287 . . . . 0.57 109.846 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -114.43 132.59 56.2 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.436 1.085 . . . . 0.57 110.55 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.6 t -61.96 153.24 29.93 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 119.022 -1.071 . . . . 0.57 111.624 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.72 22.68 6.95 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 123.36 0.413 . . . . 0.57 110.499 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.19 -59.97 0.77 Allowed 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.884 -0.784 . . . . 0.57 108.884 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -100.25 -1.89 35.21 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 118.344 -0.836 . . . . 0.57 112.68 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 63.89 18.34 11.11 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.393 1.451 . . . . 0.57 114.066 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tp -81.06 134.46 35.67 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.591 -1.263 . . . . 0.57 107.591 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.39 159.82 30.8 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.616 -0.707 . . . . 0.57 110.555 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -160.41 148.71 16.6 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 119.662 -0.815 . . . . 0.57 111.587 176.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.91 143.89 46.41 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.032 0.832 . . . . 0.57 110.539 -175.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -30.74 62.09 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 112.808 0.67 . . . . 1.2 112.808 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -23.86 62.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 118.573 -1.251 . . . . 0.57 110.273 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 137.38 32.48 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 118.272 -0.871 . . . . 1.2 110.002 -174.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -103.42 24.82 10.43 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-N 118.687 0.676 . . . . 0.57 110.539 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -178.58 163.63 1.53 Allowed 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 119.67 1.123 . . . . 0.57 109.851 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.6 t -89.45 130.19 35.83 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 119.577 -0.849 . . . . 0.57 111.249 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -81.21 -15.13 56.54 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 118.879 -0.582 . . . . 0.57 111.414 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.81 -63.37 1.4 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 118.413 0.551 . . . . 1.2 110.761 -179.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 p -88.33 -18.52 28.3 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 117.759 -1.115 . . . . 0.57 108.367 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.99 -10.76 74.16 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-O 117.802 -1.554 . . . . 0.57 110.862 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.92 158.21 21.67 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.662 1.731 . . . . 0.57 110.344 -173.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.53 175.21 4.25 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 119.586 -0.845 . . . . 0.91 110.439 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -61.82 -52.58 63.58 Favored 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 109.005 -0.739 . . . . 0.57 109.005 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.12 24.05 9.97 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.681 -0.859 . . . . 0.57 108.681 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.96 -86.03 0.02 OUTLIER 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.078 -0.963 . . . . 0.91 111.83 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.546 0 CA-C-N 121.979 2.172 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.415 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.57 93.73 5.76 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 107.767 -1.197 . . . . 0.57 107.767 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -83.45 56.34 3.54 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.968 -1.083 . . . . 0.57 111.959 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -167.14 62.33 0.08 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.97 -1.122 . . . . 0.91 107.97 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.48 179.93 8.78 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.69 -1.226 . . . . 0.91 107.69 -175.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CH2' ' HG2' ' A' ' 28' ' ' LYS . 61.3 p-90 -150.99 161.86 41.94 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 117.715 -1.136 . . . . 0.57 109.558 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -105.41 136.49 44.87 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 124.172 0.92 . . . . 0.57 110.897 -175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.1 t -70.82 153.06 43.08 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 119.5 -0.88 . . . . 0.57 111.654 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.87 30.39 3.04 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.462 0.476 . . . . 0.57 109.876 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -140.22 -52.58 0.5 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-O 118.406 -0.807 . . . . 0.57 109.477 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.3 3.53 17.12 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 117.644 -1.17 . . . . 0.57 112.794 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.9 m 64.62 19.34 11.79 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.865 1.666 . . . . 0.57 113.387 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -83.94 129.96 34.91 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 109.129 -0.693 . . . . 0.57 109.129 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -69.12 112.95 6.06 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 117.09 -1.433 . . . . 0.57 112.549 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -113.87 150.73 33.2 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.844 1.202 . . . . 0.57 111.567 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.95 152.09 10.73 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.092 0.87 . . . . 0.57 111.768 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 83.3 0.71 Allowed 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 120.496 -0.482 . . . . 1.2 111.119 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt 177.34 -49.16 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.621 -0.881 . . . . 0.57 108.621 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.67 112.54 0.47 Allowed 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.927 0.767 . . . . 1.2 109.24 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.71 -23.02 49.64 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 118.09 -0.957 . . . . 0.57 110.742 174.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -146.97 156.35 42.98 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 119.119 -1.032 . . . . 0.57 109.737 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.59 129.14 40.5 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 119.548 -0.861 . . . . 0.57 110.987 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -78.82 -20.67 49.13 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.837 -0.745 . . . . 0.57 111.603 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -66.11 0.78 Allowed 'General case' 0 C--N 1.348 0.511 0 CA-C-O 118.406 -0.807 . . . . 1.2 111.986 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.6 p -83.28 -19.8 35.63 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.71 -1.138 . . . . 0.57 109.161 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.02 -14.0 66.32 Favored Glycine 0 C--N 1.356 1.667 0 CA-C-O 118.108 -1.384 . . . . 0.57 111.544 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.91 160.63 19.35 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 119.064 1.432 . . . . 0.57 111.015 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.56 171.85 1.03 Allowed 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 119.632 -0.827 . . . . 0.91 111.403 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' HG2' ' CH2' ' A' ' 5' ' ' TRP . 3.9 mtpt -60.1 -53.71 54.54 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.183 -1.043 . . . . 0.57 108.183 -177.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.39 24.11 9.3 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.209 0.943 . . . . 0.57 109.435 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.9 t0 54.97 90.09 0.03 OUTLIER 'General case' 0 C--N 1.352 0.711 0 CA-C-N 118.576 0.625 . . . . 0.91 110.91 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.541 0 O-C-N 119.569 -1.957 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.46 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.87 101.47 11.28 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 107.487 -1.301 . . . . 0.57 107.487 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -91.45 50.21 1.7 Allowed 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 118.825 0.739 . . . . 0.57 109.433 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -158.7 57.25 0.44 Allowed 'General case' 0 C--N 1.353 0.76 0 C-N-CA 119.763 -0.775 . . . . 0.91 109.576 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -150.78 177.33 10.2 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.93 -1.033 . . . . 0.91 109.436 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -145.14 159.92 42.24 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 118.001 -1.0 . . . . 0.57 109.522 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mp -102.33 122.99 45.34 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 108.402 -0.962 . . . . 0.57 108.402 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -56.51 151.24 13.79 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 119.187 0.903 . . . . 0.57 112.344 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.71 29.28 2.37 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 120.779 -0.368 . . . . 0.57 110.913 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -140.16 -51.08 0.48 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-O 118.373 -0.822 . . . . 0.57 109.434 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.8 p -112.47 1.17 15.81 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.799 -1.096 . . . . 0.57 112.969 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 66.73 17.71 10.61 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.066 1.757 . . . . 0.57 113.297 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -82.44 131.66 35.22 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 118.604 0.638 . . . . 0.57 109.606 -177.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.92 113.34 5.56 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.566 -1.207 . . . . 0.57 111.273 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -116.01 142.71 46.44 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.905 1.229 . . . . 0.57 111.578 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.23 140.5 1.53 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.113 0.883 . . . . 0.57 113.316 177.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -64.46 -27.13 68.78 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 114.015 1.117 . . . . 1.2 114.015 174.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -69.58 -6.82 33.57 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.626 -1.178 . . . . 0.57 111.504 176.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.58 166.72 11.89 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 119.535 1.061 . . . . 1.2 108.847 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -131.8 24.24 4.66 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 124.093 0.871 . . . . 0.57 109.345 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -173.35 130.35 0.46 Allowed 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 119.836 1.198 . . . . 0.57 109.451 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.0 t -60.69 129.07 39.7 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 118.769 -1.173 . . . . 0.57 111.18 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -79.86 -20.18 46.55 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 118.847 0.748 . . . . 0.57 112.045 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -73.84 -65.18 0.86 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-O 118.39 -0.814 . . . . 1.2 111.138 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -85.14 -18.51 33.97 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.669 -1.157 . . . . 0.57 109.105 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.25 -12.63 68.65 Favored Glycine 0 C--N 1.356 1.652 0 CA-C-N 120.108 1.322 . . . . 0.57 111.366 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.07 166.39 16.71 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 119.276 1.538 . . . . 0.57 111.23 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.0 174.31 6.39 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.461 -0.896 . . . . 0.91 110.496 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -60.72 -54.22 47.86 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 109.422 -0.585 . . . . 0.57 109.422 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.82 21.1 13.03 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.036 -1.098 . . . . 0.57 108.036 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t70 63.35 -27.8 0.08 Allowed 'General case' 0 C--N 1.35 0.625 0 N-CA-C 115.607 1.706 . . . . 0.91 115.607 -175.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.665 0 CA-C-N 123.765 2.984 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.418 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.21 99.54 9.41 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 107.942 -1.133 . . . . 0.57 107.942 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -87.82 51.26 2.16 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 121.724 -0.61 . . . . 0.57 109.636 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -159.94 60.65 0.36 Allowed 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.549 1.068 . . . . 0.91 108.809 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.61 176.01 12.56 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 118.586 -0.721 . . . . 0.91 109.45 -174.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -144.06 161.2 39.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 117.952 -1.023 . . . . 0.57 109.484 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -104.53 119.85 39.92 Favored 'General case' 0 CA--C 1.502 -0.897 0 O-C-N 125.032 1.458 . . . . 0.57 109.215 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -53.62 146.47 13.13 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.121 0.785 . . . . 0.57 113.121 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.58 28.68 2.22 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.307 -0.871 . . . . 0.57 111.268 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -139.02 -59.68 0.59 Allowed 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.904 -0.776 . . . . 0.57 108.904 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -98.28 -5.03 33.88 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 119.214 0.916 . . . . 0.57 112.251 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t 65.05 20.71 12.13 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 119.85 1.205 . . . . 0.57 112.412 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 tp -95.87 141.14 29.66 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 108.864 -0.791 . . . . 0.57 108.864 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.61 154.1 42.53 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 124.479 1.112 . . . . 0.57 110.885 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.03 138.34 16.65 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 120.137 -0.625 . . . . 0.57 110.63 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.9 138.09 25.15 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.007 0.817 . . . . 0.57 110.717 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -55.36 -27.8 49.75 Favored 'General case' 0 CA--C 1.5 -0.952 0 O-C-N 121.182 -0.948 . . . . 1.2 113.411 174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -22.16 66.7 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.426 -0.91 . . . . 0.57 110.427 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.94 131.34 42.83 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 108.594 -0.891 . . . . 1.2 108.594 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.99 15.43 3.4 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.153 -0.927 . . . . 0.57 111.805 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.68 178.68 0.98 Allowed 'General case' 0 CA--C 1.497 -1.079 0 CA-C-N 120.629 1.559 . . . . 0.57 109.452 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.6 t -83.57 132.51 34.91 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 118.397 0.544 . . . . 0.57 111.165 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -89.27 14.66 10.51 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.833 -1.167 . . . . 0.57 112.865 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.58 -57.7 1.96 Allowed 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 117.983 -1.008 . . . . 1.2 109.331 179.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.84 -11.93 21.3 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.977 1.262 . . . . 0.57 112.3 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.85 -29.11 6.04 Favored Glycine 0 C--N 1.359 1.853 0 CA-C-N 120.937 1.699 . . . . 0.57 112.581 -176.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 152.65 30.81 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 119.573 1.686 . . . . 0.57 112.089 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -91.23 152.84 20.36 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 119.975 -0.69 . . . . 0.91 111.266 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -19.71 54.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 118.499 -0.762 . . . . 0.57 111.686 175.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.18 23.43 5.76 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.572 -1.204 . . . . 0.57 109.839 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -117.79 -73.79 0.63 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-N 119.834 1.197 . . . . 0.91 109.395 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.674 0 CA-C-N 121.224 1.829 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.588 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -103.8 93.57 4.97 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 124.97 1.418 . . . . 0.57 109.001 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -87.41 60.02 5.83 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.302 0.641 . . . . 0.57 111.043 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.42 64.59 0.59 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 108.923 -0.769 . . . . 0.91 108.923 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -148.54 175.57 11.05 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.557 1.143 . . . . 0.91 109.638 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -148.39 167.1 26.14 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.378 1.471 . . . . 0.57 110.154 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -119.94 134.28 55.29 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.515 1.126 . . . . 0.57 109.981 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.2 t -64.97 138.16 58.19 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.498 0.719 . . . . 0.57 109.936 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -84.1 19.85 1.71 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.086 0.955 . . . . 0.57 112.583 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.12 -64.59 0.81 Allowed 'General case' 0 C--N 1.341 0.232 0 C-N-CA 124.33 1.052 . . . . 0.57 109.244 -176.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.4 p -95.45 -5.39 43.14 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.408 1.083 . . . . 0.57 113.502 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.8 m 65.14 17.29 10.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.029 1.331 . . . . 0.57 113.329 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tp -78.22 135.02 37.51 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 124.208 1.003 . . . . 0.57 109.795 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.13 154.48 41.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.621 0.369 . . . . 0.57 111.939 171.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -156.62 150.42 24.81 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.027 1.331 . . . . 0.57 110.486 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.19 147.31 35.87 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.893 0.877 . . . . 0.57 111.322 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -31.64 72.47 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.691 -0.631 . . . . 1.2 112.235 175.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -61.18 -30.17 70.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.603 0.761 . . . . 0.57 112.113 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 161.09 2.84 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.761 0.71 . . . . 1.2 110.967 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.58 -45.42 4.43 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.911 0.884 . . . . 0.57 110.594 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -147.61 160.95 42.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.267 1.027 . . . . 0.57 108.888 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 t -64.2 123.66 19.67 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.648 -0.871 . . . . 0.57 108.648 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -76.38 -15.62 59.91 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 119.048 -0.501 . . . . 0.57 111.703 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -80.72 -67.94 0.73 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 123.687 0.795 . . . . 1.2 110.285 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.8 p -83.43 -20.57 33.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.516 0.726 . . . . 0.57 112.694 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.58 -18.08 55.99 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 118.778 -1.012 . . . . 0.57 112.908 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.24 147.09 42.76 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 118.427 1.114 . . . . 0.57 110.331 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -71.24 152.56 43.19 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 110.209 -0.293 . . . . 0.91 110.209 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -56.71 -21.35 27.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.615 0.766 . . . . 0.57 112.663 171.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.54 20.15 18.91 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.554 1.142 . . . . 0.57 112.579 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 57.58 -92.57 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 114.979 -2.439 . . . . 0.91 110.625 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 125.058 1.473 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.491 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -113.96 -171.27 1.87 Allowed 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 123.822 0.702 . . . . 0.57 109.138 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -74.49 61.11 0.91 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.721 -0.657 . . . . 0.57 111.292 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.03 63.93 0.17 Allowed 'General case' 0 C--N 1.351 0.646 0 CA-C-N 118.462 0.573 . . . . 0.91 109.642 176.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -151.35 172.94 15.12 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.893 -1.051 . . . . 0.91 109.348 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -143.66 162.07 36.9 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.745 -1.121 . . . . 0.57 110.081 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -103.33 132.57 49.48 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 118.143 -0.932 . . . . 0.57 109.982 -175.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.7 t -68.4 152.65 45.12 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 119.477 1.035 . . . . 0.57 111.754 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.87 27.4 3.14 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.258 0.349 . . . . 0.57 110.751 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -140.31 -51.94 0.49 Allowed 'General case' 0 C--N 1.351 0.658 0 CA-C-O 118.083 -0.961 . . . . 0.57 110.458 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.04 1.01 20.25 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.936 -1.031 . . . . 0.57 111.754 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.1 18.54 11.51 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 121.108 1.776 . . . . 0.57 113.024 177.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -87.6 141.3 28.72 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 118.698 0.681 . . . . 0.57 110.377 -176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.95 120.82 24.09 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 117.353 -1.308 . . . . 0.57 110.163 -176.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -119.87 150.05 41.09 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 119.736 1.153 . . . . 0.57 112.793 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.36 148.09 7.15 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.982 1.426 . . . . 0.57 110.699 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -27.54 68.95 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 119.64 -0.824 . . . . 1.2 112.864 176.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -76.27 -5.88 48.93 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.572 -1.204 . . . . 0.57 112.311 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.74 135.29 38.0 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 120.502 1.501 . . . . 1.2 108.121 -174.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.02 -24.44 40.78 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 118.156 -0.926 . . . . 0.57 109.794 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -150.93 165.87 32.36 Favored 'General case' 0 CA--C 1.496 -1.098 0 C-N-CA 118.976 -1.09 . . . . 0.57 109.209 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t -60.13 126.24 26.77 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 119.252 -0.979 . . . . 0.57 110.394 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.91 -5.09 52.79 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 118.771 0.714 . . . . 0.57 111.916 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -64.77 1.01 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.142 -0.932 . . . . 1.2 110.479 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.0 p -84.56 -17.66 38.13 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.532 1.06 . . . . 0.57 108.431 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.62 -28.07 12.29 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 119.8 1.182 . . . . 0.57 110.788 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.91 154.81 41.47 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 118.233 1.016 . . . . 0.57 111.888 -173.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.05 156.35 38.79 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 119.141 -1.024 . . . . 0.91 111.098 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -57.11 -24.5 54.58 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 117.945 -1.026 . . . . 0.57 111.117 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.8 15.41 22.72 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.858 0.754 . . . . 0.57 110.923 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -152.17 26.78 0.61 Allowed 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 118.93 0.786 . . . . 0.91 108.887 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 120.886 -1.134 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.604 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -88.68 51.32 2.14 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.961 -0.696 . . . . 0.57 109.486 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -84.88 64.75 8.81 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.496 -0.928 . . . . 0.57 108.496 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 65.14 67.62 0.52 Allowed 'General case' 0 C--N 1.349 0.58 0 N-CA-C 109.097 -0.705 . . . . 0.91 109.097 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -154.15 178.2 10.25 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 118.941 -0.552 . . . . 0.91 110.011 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 -145.31 163.24 35.12 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 118.128 -0.939 . . . . 0.57 109.529 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.51 126.96 54.09 Favored 'General case' 0 CA--C 1.5 -0.948 0 O-C-N 124.806 1.316 . . . . 0.57 108.491 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.0 t -61.44 152.53 29.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 118.897 -1.121 . . . . 0.57 112.825 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.93 25.06 4.97 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.066 0.394 . . . . 0.57 111.168 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.81 -58.83 0.67 Allowed 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 108.584 -0.895 . . . . 0.57 108.584 -175.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.8 p -102.29 1.02 35.21 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.396 -0.811 . . . . 0.57 112.612 174.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.14 18.47 11.27 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.146 1.339 . . . . 0.57 113.036 176.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -86.83 139.38 30.74 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 109.256 -0.646 . . . . 0.57 109.256 -178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.76 150.28 44.58 Favored 'General case' 0 CA--C 1.511 -0.543 0 O-C-N 123.929 0.768 . . . . 0.57 111.394 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -152.27 141.27 21.2 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.944 -0.55 . . . . 0.57 110.784 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.89 149.21 5.08 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 123.896 0.747 . . . . 0.57 111.725 -177.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.25 71.36 Favored 'General case' 0 CA--C 1.503 -0.851 0 O-C-N 121.482 -0.762 . . . . 1.2 111.745 176.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -64.63 -25.39 67.94 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 119.717 -0.793 . . . . 0.57 110.824 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.56 156.73 7.82 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.912 -0.715 . . . . 1.2 109.712 -177.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.5 -7.42 14.33 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 117.962 -1.018 . . . . 0.57 112.0 173.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 152.13 4.56 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 120.451 1.478 . . . . 0.57 108.266 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 t -61.33 133.67 56.11 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 119.196 -1.002 . . . . 0.57 110.419 -173.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.59 10.67 22.16 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.889 0.768 . . . . 0.57 111.133 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -113.85 -55.62 2.49 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 118.132 -0.937 . . . . 1.2 109.302 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.8 p -100.5 -9.45 22.07 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 117.184 -1.389 . . . . 0.57 111.531 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 -33.24 4.57 Favored Glycine 0 C--N 1.358 1.76 0 CA-C-N 121.631 2.014 . . . . 0.57 112.936 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.05 151.55 22.02 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 118.866 1.333 . . . . 0.57 111.463 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -93.92 154.57 17.63 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 119.899 -0.72 . . . . 0.91 111.382 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -22.56 40.88 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 118.028 -0.987 . . . . 0.57 112.59 175.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.64 17.26 24.18 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 118.512 -0.756 . . . . 0.57 109.871 177.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -155.68 31.61 0.36 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.515 1.052 . . . . 0.91 110.856 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.604 0 O-C-N 119.703 -1.873 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.424 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -103.9 102.29 12.09 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 107.758 -1.201 . . . . 0.57 107.758 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -92.72 50.16 1.55 Allowed 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.238 -1.023 . . . . 0.57 108.238 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -163.89 63.76 0.16 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.551 -0.907 . . . . 0.91 108.551 -176.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.4 p30 -152.9 177.7 10.47 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 118.199 -0.905 . . . . 0.91 109.859 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -143.16 165.9 26.15 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 117.625 -1.179 . . . . 0.57 109.248 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -112.88 127.66 56.25 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.51 1.131 . . . . 0.57 108.938 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.8 t -59.42 152.89 20.42 Favored 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 118.984 -1.087 . . . . 0.57 111.695 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.55 20.11 10.06 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 118.976 -0.535 . . . . 0.57 110.946 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.77 -61.24 0.9 Allowed 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.557 -0.905 . . . . 0.57 108.557 -177.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 p -99.16 0.74 44.04 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 118.117 -0.944 . . . . 0.57 112.789 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 m 63.28 16.42 9.44 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 120.183 1.356 . . . . 0.57 113.574 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tp -81.76 131.03 35.25 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 108.111 -1.07 . . . . 0.57 108.111 -177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.06 149.71 48.43 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 118.248 -0.882 . . . . 0.57 111.758 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -152.96 138.61 17.83 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.085 -0.646 . . . . 0.57 112.501 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -55.6 147.96 17.0 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 120.559 -0.456 . . . . 0.57 111.375 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.5 -28.86 69.6 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 119.314 -0.954 . . . . 1.2 111.829 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -59.12 -24.89 63.38 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 119.423 -0.911 . . . . 0.57 110.608 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -65.74 161.49 20.66 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 120.178 -0.609 . . . . 1.2 109.381 -176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.64 3.55 13.09 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 117.841 -1.076 . . . . 0.57 112.212 173.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -178.38 157.95 1.08 Allowed 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 120.455 1.48 . . . . 0.57 107.659 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 t -66.8 127.14 31.32 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 118.753 -1.179 . . . . 0.57 110.605 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -79.88 -8.07 59.09 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 118.445 -0.788 . . . . 0.57 111.587 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -90.49 -63.05 1.33 Allowed 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.985 0.811 . . . . 1.2 109.917 -178.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.9 -16.92 34.54 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.698 -1.144 . . . . 0.57 109.588 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.02 -19.77 47.04 Favored Glycine 0 C--N 1.357 1.733 0 CA-C-N 120.217 1.371 . . . . 0.57 111.174 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 152.54 37.16 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 118.941 1.37 . . . . 0.57 110.159 -173.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -75.6 154.7 36.54 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.342 -0.943 . . . . 0.91 112.318 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -21.63 27.96 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-O 117.986 -1.007 . . . . 0.57 112.748 174.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.7 20.27 18.96 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.236 0.925 . . . . 0.57 109.937 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -91.31 -30.59 16.49 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.198 0.908 . . . . 0.91 111.575 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.575 0 CA-C-N 120.034 1.288 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.423 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -85.46 92.5 8.51 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 120.017 -0.673 . . . . 0.57 109.368 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -89.14 54.11 2.87 Favored 'General case' 0 CA--C 1.509 -0.623 0 O-C-N 121.83 -0.544 . . . . 0.57 110.309 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 67.45 66.69 0.39 Allowed 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.377 -0.529 . . . . 0.91 110.145 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -151.96 179.71 8.22 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 119.069 -0.491 . . . . 0.91 110.147 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -146.79 164.86 31.44 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 118.517 -0.754 . . . . 0.57 109.861 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 tp -107.19 128.13 54.14 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 125.121 1.513 . . . . 0.57 110.434 -177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.65 144.07 53.02 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 119.597 -0.841 . . . . 0.57 112.77 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -95.79 33.18 1.71 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 122.096 -0.377 . . . . 0.57 111.401 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -140.65 -59.92 0.51 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 118.896 -0.573 . . . . 0.57 109.512 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.1 p -96.69 -1.38 46.71 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 118.863 -0.589 . . . . 0.57 111.511 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 68.48 13.37 8.96 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 119.195 0.907 . . . . 0.57 110.952 178.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.75 135.74 38.26 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 118.786 0.721 . . . . 0.57 109.57 -174.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -79.81 150.78 30.6 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 118.792 -0.623 . . . . 0.57 112.16 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -146.98 146.51 30.11 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 119.971 -0.692 . . . . 0.57 111.685 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.25 149.55 7.1 Favored 'General case' 0 CA--C 1.51 -0.559 0 O-C-N 124.694 1.246 . . . . 0.57 111.595 -178.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -25.15 67.67 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 112.763 0.653 . . . . 1.2 112.763 177.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -69.06 -19.96 64.1 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 123.982 0.801 . . . . 0.57 112.446 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.92 126.99 31.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 119.581 -0.848 . . . . 1.2 108.753 -176.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -86.38 6.33 30.63 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 117.72 -1.133 . . . . 0.57 109.568 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -177.15 149.54 0.69 Allowed 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 119.79 1.177 . . . . 0.57 109.315 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.56 127.89 31.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.352 -0.939 . . . . 0.57 111.589 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -86.6 6.5 30.6 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.686 0.675 . . . . 0.57 111.768 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.37 -52.98 2.71 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 118.07 -0.967 . . . . 1.2 111.349 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p -98.45 -15.82 19.47 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 117.673 -1.156 . . . . 0.57 111.058 176.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.63 -32.93 5.46 Favored Glycine 0 C--N 1.357 1.696 0 CA-C-N 120.115 1.325 . . . . 0.57 111.792 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.38 148.45 37.17 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 117.622 0.711 . . . . 0.57 112.172 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.92 155.54 39.77 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 112.767 0.654 . . . . 0.91 112.767 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -18.86 45.62 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 117.908 -1.044 . . . . 0.57 111.946 176.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.49 25.24 11.45 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.472 -0.775 . . . . 0.57 110.204 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -115.97 -156.79 0.63 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.125 -1.417 . . . . 0.91 107.479 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.678 0 CA-C-N 122.963 2.619 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.449 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -103.63 99.2 9.0 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 108.234 -1.024 . . . . 0.57 108.234 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -91.04 60.61 4.37 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 119.485 1.039 . . . . 0.57 109.279 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 65.54 65.57 0.55 Allowed 'General case' 0 C--N 1.348 0.541 0 N-CA-C 109.047 -0.723 . . . . 0.91 109.047 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -149.97 177.73 9.59 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.283 -0.865 . . . . 0.91 109.557 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -145.63 163.65 34.18 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 117.802 -1.094 . . . . 0.57 109.681 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.5 125.1 50.85 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.43 1.081 . . . . 0.57 108.961 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.55 152.03 15.72 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.22 -0.992 . . . . 0.57 112.476 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.7 24.91 4.32 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 119.384 -0.341 . . . . 0.57 110.886 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -137.81 -53.43 0.65 Allowed 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.645 -0.693 . . . . 0.57 109.225 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.4 p -108.58 0.44 20.77 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 117.822 -1.085 . . . . 0.57 113.109 172.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t 64.39 17.84 11.0 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.036 1.743 . . . . 0.57 113.702 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -79.47 139.51 37.61 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.093 -1.077 . . . . 0.57 108.093 -178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.14 146.74 41.1 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 118.225 -0.893 . . . . 0.57 109.927 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -150.21 145.35 26.2 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 119.03 0.832 . . . . 0.57 111.472 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.9 145.63 19.56 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 123.855 0.722 . . . . 0.57 111.398 -176.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -62.06 -27.76 69.13 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 113.644 0.979 . . . . 1.2 113.644 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -22.19 64.29 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 119.089 -1.044 . . . . 0.57 111.526 175.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 166.96 15.51 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 119.209 -0.996 . . . . 1.2 109.999 -174.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -136.56 25.24 3.15 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.083 0.865 . . . . 0.57 111.314 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -173.41 129.88 0.45 Allowed 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 118.448 -1.301 . . . . 0.57 109.256 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.37 130.76 44.46 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 117.998 -1.481 . . . . 0.57 110.843 -173.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -79.12 -18.41 53.31 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.979 -0.688 . . . . 0.57 111.466 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -74.41 -63.1 1.31 Allowed 'General case' 0 C--N 1.35 0.612 0 CA-C-O 119.186 -0.435 . . . . 1.2 110.648 -178.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.9 p -88.23 -19.24 27.09 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.829 -1.081 . . . . 0.57 108.593 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.0 -6.64 82.63 Favored Glycine 0 C--N 1.357 1.719 0 CA-C-O 117.653 -1.637 . . . . 0.57 110.948 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.02 164.48 16.45 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 119.937 1.868 . . . . 0.57 110.613 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.0 173.4 8.46 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.524 -0.87 . . . . 0.91 109.919 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -60.88 -53.13 61.03 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.045 -0.724 . . . . 0.57 109.045 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' NH2 . 0.1 OUTLIER -100.67 22.09 12.44 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.635 -0.876 . . . . 0.57 108.635 -178.424 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 56.68 -66.38 0.02 OUTLIER 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.967 -1.016 . . . . 0.91 113.661 -176.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . 0.447 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . . . . . . 0 C--N 1.348 0.509 0 CA-C-N 122.074 2.216 . . . . 0.37 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.56 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -82.6 51.06 1.78 Allowed 'General case' 0 C--N 1.349 0.566 0 C-N-CA 120.287 -0.565 . . . . 0.57 109.557 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -83.37 65.88 8.55 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 107.588 -1.264 . . . . 0.57 107.588 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 64.35 66.15 0.63 Allowed 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.16 -0.616 . . . . 0.91 109.587 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -152.59 176.93 11.19 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 118.427 -0.797 . . . . 0.91 109.683 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -143.54 162.21 36.45 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 117.896 -1.05 . . . . 0.57 109.432 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.22 127.46 54.26 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 124.674 1.234 . . . . 0.57 108.937 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.6 t -61.43 151.44 32.55 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 118.894 -1.122 . . . . 0.57 112.363 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -94.23 24.97 4.04 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.979 0.809 . . . . 0.57 111.926 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 -60.7 0.72 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.415 -0.957 . . . . 0.57 108.415 -175.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -99.42 -0.46 40.84 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 118.35 -0.833 . . . . 0.57 112.321 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.33 18.37 11.27 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.066 1.303 . . . . 0.57 113.042 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tp -85.45 138.41 32.25 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 109.046 -0.724 . . . . 0.57 109.046 -178.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.86 150.3 42.78 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 123.997 0.81 . . . . 0.57 111.261 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -153.64 143.09 21.65 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.783 -0.627 . . . . 0.57 111.035 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.07 151.57 6.81 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 123.834 0.709 . . . . 0.57 111.199 -175.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -68.64 -24.88 64.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 113.446 0.906 . . . . 1.2 113.446 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -70.17 -18.25 63.19 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.357 -0.609 . . . . 0.57 109.357 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.95 174.3 3.11 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.265 -0.974 . . . . 1.2 109.531 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.76 -50.14 2.79 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 117.236 -1.364 . . . . 0.57 110.058 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -138.19 164.69 28.55 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-N 120.794 1.633 . . . . 0.57 107.905 -174.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.83 132.82 48.84 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 118.975 -1.09 . . . . 0.57 111.087 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -89.48 7.82 34.14 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.552 -0.737 . . . . 0.57 111.86 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -108.86 -55.5 2.39 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 118.141 -0.933 . . . . 1.2 109.554 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p -100.11 -11.3 20.62 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-O 117.095 -1.431 . . . . 0.57 111.575 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.56 -33.0 4.98 Favored Glycine 0 C--N 1.359 1.815 0 CA-C-N 121.622 2.01 . . . . 0.57 112.678 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.03 150.22 17.47 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 118.46 1.13 . . . . 0.57 112.028 -176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -80.46 155.16 27.2 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 119.49 -0.884 . . . . 0.91 110.273 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -19.53 63.29 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 118.198 -0.906 . . . . 0.57 112.123 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.33 27.53 9.41 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.622 -0.704 . . . . 0.57 109.526 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -156.05 120.41 4.56 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.187 -1.042 . . . . 0.91 108.187 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.485 0 CA-C-N 120.447 1.476 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.411 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -103.48 98.7 8.55 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 107.942 -1.133 . . . . 0.57 107.942 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -89.42 50.5 1.93 Allowed 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 119.376 0.989 . . . . 0.57 110.066 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.03 77.84 0.02 OUTLIER 'General case' 0 C--N 1.353 0.733 0 N-CA-C 107.891 -1.151 . . . . 0.91 107.891 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -152.59 177.06 11.06 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 121.085 -1.009 . . . . 0.91 110.46 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -144.72 164.28 31.48 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 117.989 -1.005 . . . . 0.57 109.359 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -109.52 132.33 54.24 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 124.682 1.239 . . . . 0.57 109.256 -176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -65.58 153.78 40.59 Favored 'General case' 0 CA--C 1.506 -0.743 0 C-N-CA 118.998 -1.081 . . . . 0.57 112.149 -177.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.95 23.77 6.09 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 123.338 0.399 . . . . 0.57 110.738 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -138.28 -56.79 0.65 Allowed 'General case' 0 C--N 1.351 0.655 0 N-CA-C 108.735 -0.839 . . . . 0.57 108.735 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.8 -1.37 29.9 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-O 118.062 -0.97 . . . . 0.57 112.972 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.92 16.78 10.72 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.837 1.653 . . . . 0.57 113.339 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 tp -82.39 142.32 32.07 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.782 -1.192 . . . . 0.57 107.782 -177.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.37 151.82 36.5 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 118.37 -0.824 . . . . 0.57 110.38 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -152.76 147.82 26.51 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 119.148 0.885 . . . . 0.57 111.898 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.31 146.11 35.52 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.542 0.526 . . . . 0.57 110.807 -173.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -56.06 -28.92 59.52 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 114.465 1.283 . . . . 1.2 114.465 173.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -21.47 61.15 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 120.62 -0.432 . . . . 0.57 110.602 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 160.5 10.44 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 119.793 -0.763 . . . . 1.2 109.326 -175.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.76 -30.17 10.08 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 117.691 -1.147 . . . . 0.57 111.593 173.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -156.49 160.05 39.18 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 120.523 1.511 . . . . 0.57 107.871 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 t -63.75 128.58 36.47 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 118.439 -1.304 . . . . 0.57 109.929 -173.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -79.85 -3.98 50.23 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 118.394 -0.813 . . . . 0.57 111.491 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.88 -62.21 1.39 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 118.867 0.758 . . . . 1.2 109.821 -177.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.2 p -89.1 -17.47 29.2 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.519 -1.229 . . . . 0.57 108.432 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.59 -16.3 59.45 Favored Glycine 0 C--N 1.356 1.682 0 CA-C-N 120.134 1.333 . . . . 0.57 111.063 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.69 152.53 33.68 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 118.973 1.387 . . . . 0.57 110.257 -172.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.55 153.95 38.83 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.396 -0.922 . . . . 0.91 110.223 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -58.17 -21.16 46.06 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 118.389 -0.815 . . . . 0.57 111.589 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.21 23.94 8.55 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.294 -0.86 . . . . 0.57 109.296 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -148.44 -69.34 0.22 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.933 1.242 . . . . 0.91 109.691 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.464 0 CA-C-N 120.328 1.422 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.406 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.45 -166.24 1.09 Allowed 'General case' 0 C--N 1.352 0.711 0 N-CA-C 108.573 -0.899 . . . . 0.57 108.573 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -88.92 37.92 0.86 Allowed 'General case' 0 C--N 1.349 0.579 0 CA-C-O 118.08 -0.962 . . . . 0.57 110.195 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -167.9 62.59 0.07 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.571 1.078 . . . . 0.91 108.416 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.46 -178.75 7.57 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.969 -1.015 . . . . 0.91 109.282 -174.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -155.16 166.0 34.95 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.526 -1.226 . . . . 0.57 109.595 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -112.04 132.64 54.69 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 124.534 1.146 . . . . 0.57 109.699 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.57 151.2 45.28 Favored 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 118.534 -1.266 . . . . 0.57 111.099 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -97.32 31.43 2.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.465 0.478 . . . . 0.57 110.821 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.93 -58.92 0.47 Allowed 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.625 -0.702 . . . . 0.57 109.416 -178.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.98 -0.58 44.48 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-O 117.74 -1.124 . . . . 0.57 111.874 173.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.4 m 65.46 18.43 11.29 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.425 1.466 . . . . 0.57 112.136 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.89 136.35 33.13 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 109.164 -0.68 . . . . 0.57 109.164 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -77.92 115.01 17.34 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 117.206 -1.378 . . . . 0.57 111.851 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -115.25 151.37 34.62 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.876 1.217 . . . . 0.57 109.052 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.27 157.12 20.31 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 123.753 0.658 . . . . 0.57 110.642 -176.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -65.87 -33.92 76.94 Favored 'General case' 0 CA--C 1.499 -1.015 0 O-C-N 121.367 -0.833 . . . . 1.2 111.888 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -57.44 -23.07 47.45 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 119.069 -1.052 . . . . 0.57 112.06 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.86 109.37 8.27 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 119.145 0.884 . . . . 1.2 108.719 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -34.86 61.83 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.478 0.581 . . . . 0.57 111.26 174.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -135.94 177.88 7.49 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 117.992 -1.004 . . . . 0.57 110.505 -174.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 t -76.47 134.61 39.47 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 118.277 -0.868 . . . . 0.57 112.274 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.05 8.07 31.68 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 118.957 0.799 . . . . 0.57 112.966 178.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -113.05 -55.36 2.53 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 117.965 -1.017 . . . . 1.2 109.594 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 p -97.64 -12.37 22.51 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 117.137 -1.411 . . . . 0.57 111.339 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 -37.46 3.38 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-N 121.234 1.834 . . . . 0.57 112.272 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.62 148.23 12.89 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 118.053 0.926 . . . . 0.57 112.439 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.44 154.03 42.32 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 119.62 -0.832 . . . . 0.91 112.377 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 ptpt -59.73 -21.19 60.33 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 118.161 -0.923 . . . . 0.57 112.039 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.93 25.24 12.02 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 118.138 -0.934 . . . . 0.57 109.52 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -138.47 108.04 6.21 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.831 1.196 . . . . 0.91 108.001 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.521 0 CA-C-N 119.369 0.986 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -81.41 52.2 1.8 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.872 -0.731 . . . . 0.57 109.822 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -85.16 64.48 8.7 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 107.696 -1.224 . . . . 0.57 107.696 -174.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 65.77 64.89 0.55 Allowed 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 119.932 -0.707 . . . . 0.91 109.882 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -151.08 176.76 10.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.922 -0.561 . . . . 0.91 109.681 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -142.16 163.01 34.02 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 117.815 -1.088 . . . . 0.57 109.875 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.38 130.22 49.07 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 125.092 1.495 . . . . 0.57 109.151 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.87 151.2 47.53 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 118.94 -1.104 . . . . 0.57 112.428 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -94.76 25.69 3.93 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.27 0.487 . . . . 0.57 111.375 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -135.99 -58.37 0.76 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 109.018 -0.734 . . . . 0.57 109.018 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 p -104.08 1.1 30.52 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.999 -1.001 . . . . 0.57 112.349 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 64.13 19.04 11.6 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.222 1.374 . . . . 0.57 113.288 175.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 tp -87.93 147.91 24.84 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 109.29 -0.633 . . . . 0.57 109.29 -177.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.49 142.24 39.22 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 124.15 0.906 . . . . 0.57 111.285 176.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -141.4 146.99 37.27 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.509 0.595 . . . . 0.57 111.102 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.98 147.55 19.47 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.273 0.983 . . . . 0.57 110.087 -174.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -62.35 -25.83 68.12 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 119.422 1.01 . . . . 1.2 112.245 175.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -20.76 62.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.993 -0.683 . . . . 0.57 109.636 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.86 145.91 55.38 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.625 -0.83 . . . . 1.2 108.851 -173.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.95 -25.71 16.42 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 117.569 -1.205 . . . . 0.57 110.637 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -149.36 159.61 44.13 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-N 120.322 1.419 . . . . 0.57 108.144 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 t -62.44 133.24 54.74 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 118.844 -1.142 . . . . 0.57 109.674 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -88.14 8.01 28.95 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 118.623 -0.703 . . . . 0.57 111.956 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -112.96 -56.75 2.38 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-O 118.2 -0.905 . . . . 1.2 109.449 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.1 p -98.68 -11.05 22.37 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.245 -1.359 . . . . 0.57 111.668 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.31 -34.72 4.04 Favored Glycine 0 C--N 1.358 1.79 0 CA-C-N 121.446 1.93 . . . . 0.57 112.618 -177.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.28 157.14 5.08 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 119.194 1.497 . . . . 0.57 112.676 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -91.61 174.25 7.46 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 120.766 -0.374 . . . . 0.91 110.491 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -60.59 -52.17 66.32 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.904 -0.776 . . . . 0.57 108.904 -175.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 26.49 8.43 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.225 -1.028 . . . . 0.57 108.225 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 t70 51.89 -133.58 1.77 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.213 -1.375 . . . . 0.91 108.903 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.571 0 CA-C-N 122.943 2.61 . . . . 0.37 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 110.024 -0.361 . . . . 0.91 110.024 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -151.29 177.36 10.32 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 121.461 -0.774 . . . . 0.91 110.195 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 -148.51 168.37 22.92 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 117.037 -1.458 . . . . 0.57 109.777 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 7' ' ' CYS . 1.4 pp -119.71 134.47 55.22 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 124.89 1.369 . . . . 0.57 111.147 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.52 ' O ' HD12 ' A' ' 6' ' ' LEU . 38.0 t -65.57 147.76 52.88 Favored 'General case' 0 CA--C 1.504 -0.819 0 C-N-CA 118.933 -1.107 . . . . 0.57 111.078 -175.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -90.91 23.18 3.27 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 119.087 -0.483 . . . . 0.57 111.58 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 -62.1 0.77 Allowed 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.225 -1.028 . . . . 0.57 108.225 -177.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.3 p -95.53 -1.01 51.45 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 118.52 -0.753 . . . . 0.57 112.697 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m 68.1 15.38 9.42 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.683 1.128 . . . . 0.57 113.994 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.665 HD22 ' HB2' ' A' ' 23' ' ' ARG . 7.4 tp -84.19 141.48 31.0 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-O 118.604 -0.712 . . . . 0.57 109.59 -175.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.46 160.45 30.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.932 -0.556 . . . . 0.57 112.214 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -161.31 153.53 19.96 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.786 -0.766 . . . . 0.57 111.592 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.26 148.77 43.83 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.016 0.822 . . . . 0.57 110.898 -174.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -31.71 72.58 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 112.748 0.647 . . . . 1.2 112.748 175.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.2 -24.47 67.37 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 119.511 -0.875 . . . . 0.57 111.528 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 170.75 0.56 Allowed 'General case' 0 C--N 1.349 0.548 0 C-N-CA 119.705 -0.798 . . . . 1.2 110.042 -176.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.98 -37.81 3.78 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 117.19 -1.386 . . . . 0.57 110.358 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -154.39 162.03 41.39 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 121.379 1.899 . . . . 0.57 107.113 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 t -63.97 127.13 30.05 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 118.634 -1.226 . . . . 0.57 110.343 -174.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -79.23 -11.03 59.95 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 118.508 -0.758 . . . . 0.57 111.184 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.665 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.7 ttm180 -85.19 -64.53 1.14 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.772 0.715 . . . . 1.2 110.194 -178.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 p -86.5 -17.33 34.44 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 117.643 -1.17 . . . . 0.57 109.811 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.56 -17.53 58.32 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-N 120.184 1.357 . . . . 0.57 111.398 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.77 154.7 29.74 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 119.124 1.462 . . . . 0.57 110.634 -173.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -78.19 153.15 32.25 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 119.568 -0.853 . . . . 0.91 111.285 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -59.58 -20.78 58.18 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 118.014 -0.993 . . . . 0.57 110.762 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.83 24.86 12.05 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.02 0.827 . . . . 0.57 109.78 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--N 1.352 0.68 0 CA-C-N 119.28 0.946 . . . . 0.91 110.032 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.435 0 N-CA-C 109.642 -0.503 . . . . 0.91 109.642 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -153.01 178.53 9.6 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 118.007 -0.996 . . . . 0.91 109.142 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.401 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 57.6 p-90 -149.65 165.02 33.59 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 117.749 -1.119 . . . . 0.57 109.63 175.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.29 134.78 51.36 Favored 'General case' 0 CA--C 1.501 -0.91 0 O-C-N 124.454 1.096 . . . . 0.57 109.814 -176.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.31 152.76 41.91 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 118.92 -1.112 . . . . 0.57 112.087 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.44 29.18 3.35 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 123.654 0.596 . . . . 0.57 110.71 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -139.31 -59.51 0.58 Allowed 'General case' 0 C--N 1.35 0.589 0 N-CA-C 108.87 -0.789 . . . . 0.57 108.87 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.0 p -101.49 -0.78 34.53 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.855 -1.069 . . . . 0.57 111.743 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.0 m 63.47 22.43 13.22 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.461 1.482 . . . . 0.57 111.983 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -95.82 136.91 35.62 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 109.064 -0.717 . . . . 0.57 109.064 -177.678 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.607 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.4 t30 -70.2 149.07 47.88 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 117.972 -1.013 . . . . 0.57 111.928 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -147.06 151.34 36.73 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.382 0.992 . . . . 0.57 111.324 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.5 149.72 20.43 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 124.385 1.053 . . . . 0.57 110.925 -174.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -24.93 66.63 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 113.946 1.091 . . . . 1.2 113.946 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -74.3 -11.77 60.36 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 118.048 -0.977 . . . . 0.57 109.143 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 130.26 35.33 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.575 1.079 . . . . 1.2 109.316 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.69 13.57 6.94 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.689 -1.148 . . . . 0.57 111.516 173.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -174.43 172.8 3.09 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 121.542 1.973 . . . . 0.57 108.966 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 t -81.95 132.36 35.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 118.93 -1.108 . . . . 0.57 110.804 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.55 11.48 19.44 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.938 0.79 . . . . 0.57 111.529 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.85 -56.63 2.36 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 118.132 -0.937 . . . . 1.2 109.686 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 p -98.04 -12.06 22.29 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 117.081 -1.438 . . . . 0.57 111.206 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.48 -38.3 3.21 Favored Glycine 0 C--N 1.356 1.693 0 CA-C-N 121.319 1.872 . . . . 0.57 112.37 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.9 158.76 3.56 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 118.457 1.129 . . . . 0.57 113.108 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -86.23 174.45 9.09 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.98 -0.688 . . . . 0.91 110.228 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 5' ' ' TRP . 5.6 mtpm? -62.15 -53.3 57.28 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.703 -0.48 . . . . 0.57 109.703 -176.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.96 19.48 16.12 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 107.96 -1.126 . . . . 0.57 107.96 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.576 0 N-CA-C 116.501 2.038 . . . . 0.91 116.501 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.221 -0.418 0 N-CA-C 108.593 -0.891 . . . . 0.91 108.593 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -154.84 176.53 12.37 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.142 -0.932 . . . . 0.91 109.543 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -151.27 161.75 42.15 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 118.022 -0.989 . . . . 0.57 110.018 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.15 139.84 40.04 Favored 'General case' 0 CA--C 1.504 -0.811 0 O-C-N 124.141 0.901 . . . . 0.57 111.589 -177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.3 t -77.91 151.16 33.9 Favored 'General case' 0 CA--C 1.506 -0.735 0 C-N-CA 118.929 -1.109 . . . . 0.57 110.753 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.45 30.92 2.38 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 123.617 0.573 . . . . 0.57 110.231 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -141.28 -56.34 0.49 Allowed 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.91 -1.043 . . . . 0.57 109.828 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.9 p -100.93 -1.17 35.21 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.5 1.045 . . . . 0.57 111.616 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 20.62 10.46 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.794 1.634 . . . . 0.57 112.076 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 13' ' ' ASN . 3.3 tm? -96.13 141.78 29.09 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.051 0.841 . . . . 0.57 108.779 -175.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.548 ' N ' HD13 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -85.82 116.23 23.94 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 117.655 -1.164 . . . . 0.57 110.535 -176.578 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -113.34 152.05 30.43 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 119.734 1.152 . . . . 0.57 111.129 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.42 151.85 35.91 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.053 0.846 . . . . 0.57 108.825 -175.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -20.59 59.11 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 114.327 1.232 . . . . 1.2 114.327 173.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -8.69 59.75 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 118.24 -0.886 . . . . 0.57 108.622 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.47 109.31 13.71 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.611 -1.996 . . . . 1.2 105.611 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -60.26 -23.43 64.1 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-O 117.781 -1.104 . . . . 0.57 109.502 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -149.59 161.82 41.4 Favored 'General case' 0 CA--C 1.497 -1.063 0 C-N-CA 118.862 -1.135 . . . . 0.57 109.961 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 t -59.47 131.77 51.96 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 119.094 -1.043 . . . . 0.57 109.8 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -89.04 10.11 22.84 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.146 0.884 . . . . 0.57 112.371 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.5 -56.22 2.41 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 117.564 -1.208 . . . . 1.2 109.419 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 26' ' ' ALA . 8.2 p -94.85 -14.61 24.43 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.105 -1.426 . . . . 0.57 111.323 175.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.74 -38.04 3.27 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-N 121.218 1.826 . . . . 0.57 111.883 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . . . -53.29 149.7 7.04 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 118.553 1.177 . . . . 0.57 113.066 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.62 156.23 35.11 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 119.637 -0.825 . . . . 0.91 110.88 -177.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -60.52 -21.67 62.74 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.414 -0.803 . . . . 0.57 111.92 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.3 17.92 21.34 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.965 -1.017 . . . . 0.57 110.756 177.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.355 0.827 0 CA-C-O 117.528 -1.225 . . . . 0.91 113.907 178.307 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.221 -0.426 0 N-CA-C 109.159 -0.682 . . . . 0.91 109.159 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.6 173.77 14.78 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.18 -0.914 . . . . 0.91 109.325 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -145.71 165.78 27.78 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.381 -0.818 . . . . 0.57 110.105 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 11' ' ' CYS . 11.5 tp -106.91 127.54 53.52 Favored 'General case' 0 CA--C 1.504 -0.797 0 O-C-N 124.659 1.224 . . . . 0.57 109.584 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.6 t -67.95 149.27 49.97 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.147 1.166 . . . . 0.57 114.147 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.29 28.3 3.73 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 117.917 0.326 . . . . 0.57 110.979 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.61 -64.5 0.49 Allowed 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.871 -0.788 . . . . 0.57 108.871 -175.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.8 p -92.51 -2.53 56.16 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 120.015 -0.674 . . . . 0.57 111.879 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' HA ' HD11 ' A' ' 6' ' ' LEU . 0.7 OUTLIER 68.33 22.84 7.86 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 119.054 0.843 . . . . 0.57 112.109 175.2 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 ' CZ ' ' A' ' 23' ' ' ARG . 1.3 tp -106.63 145.61 31.73 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.846 0.748 . . . . 0.57 109.429 -176.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.61 161.55 30.63 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 118.396 -0.812 . . . . 0.57 111.748 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -154.83 148.11 24.96 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 120.253 -0.579 . . . . 0.57 110.945 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.56 149.37 25.73 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.174 0.922 . . . . 0.57 110.806 -175.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -61.41 -31.07 70.98 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 119.439 -0.904 . . . . 1.2 112.613 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -68.78 -18.52 64.21 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 119.329 -0.948 . . . . 0.57 112.039 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.09 104.04 2.91 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 107.549 -1.278 . . . . 1.2 107.549 -175.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -27.54 13.72 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 113.494 0.924 . . . . 0.57 113.494 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -144.61 -179.59 6.66 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 106.671 -1.603 . . . . 0.57 106.671 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -79.53 147.25 32.24 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 119.267 -0.973 . . . . 0.57 112.651 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -92.88 20.96 6.05 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.859 0.754 . . . . 0.57 112.52 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' CZ ' HD13 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -130.77 -56.27 1.06 Allowed 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 117.697 -1.145 . . . . 1.2 108.985 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.6 p -105.23 -1.17 25.66 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.795 1.18 . . . . 0.57 112.537 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.88 24.28 57.59 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-N 121.24 1.836 . . . . 0.57 114.786 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.9 144.46 26.21 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.567 1.684 . . . . 0.57 109.364 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.89 157.11 25.63 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 120.047 -0.661 . . . . 0.91 109.824 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -66.16 -51.52 57.09 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 120.14 -0.624 . . . . 0.57 109.807 -172.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.33 24.76 9.81 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.003 -1.11 . . . . 0.57 108.003 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 . . . . . 0 C--N 1.353 0.724 0 N-CA-C 114.696 1.369 . . . . 0.91 114.696 -174.516 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.505 -0.753 0 N-CA-C 108.134 -1.062 . . . . 0.91 108.134 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.87 178.52 0.17 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.385 -0.825 . . . . 0.91 111.694 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.8 p-90 -135.89 166.12 24.05 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.905 -1.045 . . . . 0.57 110.533 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mp -114.59 127.95 56.06 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.52 1.137 . . . . 0.57 110.895 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 t -57.75 152.62 15.23 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 118.721 -1.192 . . . . 0.57 110.635 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -95.74 25.74 4.44 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.483 0.489 . . . . 0.57 111.014 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.69 -59.24 0.67 Allowed 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 108.676 -0.861 . . . . 0.57 108.676 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.86 -1.28 37.86 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-O 118.247 -0.882 . . . . 0.57 112.379 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t 63.5 18.75 11.28 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 120.137 1.335 . . . . 0.57 113.495 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.571 HD22 ' HB2' ' A' ' 23' ' ' ARG . 4.3 tp -83.42 123.25 29.5 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 106.809 -1.552 . . . . 0.57 106.809 -176.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.02 144.53 56.67 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 118.092 -0.956 . . . . 0.57 111.451 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -148.04 134.46 19.64 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.547 -0.739 . . . . 0.57 111.375 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.88 145.91 1.84 Allowed 'General case' 0 C--N 1.354 0.768 0 O-C-N 123.991 0.807 . . . . 0.57 112.142 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -30.85 70.72 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.951 -0.7 . . . . 1.2 110.919 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.88 -34.89 4.12 Favored 'General case' 0 C--O 1.221 -0.429 0 O-C-N 123.574 0.546 . . . . 0.57 110.77 174.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -72.15 163.01 28.66 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 120.138 -0.625 . . . . 1.2 109.726 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.63 -32.18 6.53 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 117.071 -1.442 . . . . 0.57 111.102 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -145.01 153.56 41.61 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 121.265 1.848 . . . . 0.57 107.159 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 t -62.29 128.98 38.62 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 119.037 -1.065 . . . . 0.57 110.535 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -78.2 -20.01 52.71 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 120.146 -0.622 . . . . 0.57 110.566 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -74.23 -63.69 1.18 Allowed 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.127 -0.94 . . . . 1.2 110.942 -179.471 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.25 -19.32 30.13 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.555 -1.212 . . . . 0.57 109.526 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.14 -12.15 70.31 Favored Glycine 0 C--N 1.356 1.668 0 CA-C-N 120.169 1.349 . . . . 0.57 111.863 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.92 158.62 21.52 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 118.147 0.974 . . . . 0.57 109.845 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -69.11 152.94 44.54 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 120.082 -0.647 . . . . 0.91 110.863 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.24 60.46 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 118.039 -0.982 . . . . 0.57 111.703 174.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.46 27.27 9.71 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.846 0.748 . . . . 0.57 110.467 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 CA--C 1.507 -0.698 0 N-CA-C 107.932 -1.136 . . . . 0.91 107.932 -178.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--O 1.22 -0.472 0 N-CA-C 108.813 -0.81 . . . . 0.91 108.813 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.18 178.12 10.56 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.945 -1.026 . . . . 0.91 108.354 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -149.19 168.02 24.4 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.164 -1.398 . . . . 0.57 109.729 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -118.98 145.13 46.06 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.668 1.23 . . . . 0.57 110.942 -176.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.497 ' O ' HD12 ' A' ' 6' ' ' LEU . 49.8 t -82.95 145.02 29.61 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 118.655 -1.218 . . . . 0.57 111.57 -174.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.87 27.51 2.08 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 118.692 0.678 . . . . 0.57 111.018 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.31 -59.56 0.82 Allowed 'General case' 0 C--N 1.35 0.611 0 N-CA-C 108.833 -0.803 . . . . 0.57 108.833 -176.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 p -102.37 2.07 36.26 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-O 118.556 -0.735 . . . . 0.57 112.217 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.87 18.71 10.66 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.682 1.128 . . . . 0.57 112.99 175.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.603 HD22 ' HB2' ' A' ' 23' ' ' ARG . 6.9 tp -94.05 144.76 25.19 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 118.685 0.675 . . . . 0.57 110.052 -176.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.67 164.03 26.28 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 123.831 0.707 . . . . 0.57 111.766 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -161.0 145.68 13.85 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 120.29 -0.564 . . . . 0.57 111.735 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.68 148.24 7.54 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 123.86 0.725 . . . . 0.57 112.701 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -30.35 70.01 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 112.917 0.71 . . . . 1.2 112.917 174.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -19.08 62.96 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 118.278 -0.868 . . . . 0.57 111.195 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 168.23 18.84 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 119.277 -0.969 . . . . 1.2 110.719 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -136.17 25.67 3.25 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.053 0.846 . . . . 0.57 110.053 176.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -174.69 139.22 0.53 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 119.891 1.223 . . . . 0.57 109.647 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 t -65.32 134.95 54.68 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 118.514 -1.274 . . . . 0.57 110.169 -173.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -90.42 8.56 33.07 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.957 0.799 . . . . 0.57 112.258 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.603 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.4 ttp180 -110.39 -55.72 2.43 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 117.996 -1.002 . . . . 1.2 108.937 179.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.8 p -100.92 -10.71 20.37 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-O 116.947 -1.502 . . . . 0.57 111.839 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.33 -35.33 4.07 Favored Glycine 0 C--N 1.357 1.728 0 CA-C-N 121.766 2.075 . . . . 0.57 112.418 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.58 150.74 4.77 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 118.161 0.98 . . . . 0.57 112.643 -174.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -78.76 150.33 32.44 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 119.713 -0.795 . . . . 0.91 111.455 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -20.87 63.66 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.974 -1.012 . . . . 0.57 112.147 174.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.65 24.68 11.85 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.859 0.754 . . . . 0.57 109.797 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 CA--C 1.509 -0.634 0 O-C-N 121.544 -0.723 . . . . 0.91 109.251 -178.424 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.221 -0.396 0 N-CA-C 110.234 -0.284 . . . . 0.91 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.22 175.5 12.11 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.278 -0.868 . . . . 0.91 109.702 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -147.01 166.36 27.06 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 117.398 -1.287 . . . . 0.57 109.846 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -114.43 132.59 56.2 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.436 1.085 . . . . 0.57 110.55 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.6 t -61.96 153.24 29.93 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 119.022 -1.071 . . . . 0.57 111.624 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.72 22.68 6.95 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 123.36 0.413 . . . . 0.57 110.499 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.19 -59.97 0.77 Allowed 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.884 -0.784 . . . . 0.57 108.884 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -100.25 -1.89 35.21 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 118.344 -0.836 . . . . 0.57 112.68 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 63.89 18.34 11.11 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.393 1.451 . . . . 0.57 114.066 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 23' ' ' ARG . 8.4 tp -81.06 134.46 35.67 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.591 -1.263 . . . . 0.57 107.591 -178.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.39 159.82 30.8 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.616 -0.707 . . . . 0.57 110.555 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -160.41 148.71 16.6 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 119.662 -0.815 . . . . 0.57 111.587 176.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.91 143.89 46.41 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.032 0.832 . . . . 0.57 110.539 -175.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -30.74 62.09 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 112.808 0.67 . . . . 1.2 112.808 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -23.86 62.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 118.573 -1.251 . . . . 0.57 110.273 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 137.38 32.48 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 118.272 -0.871 . . . . 1.2 110.002 -174.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -103.42 24.82 10.43 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-N 118.687 0.676 . . . . 0.57 110.539 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -178.58 163.63 1.53 Allowed 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 119.67 1.123 . . . . 0.57 109.851 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.6 t -89.45 130.19 35.83 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 119.577 -0.849 . . . . 0.57 111.249 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -81.21 -15.13 56.54 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 118.879 -0.582 . . . . 0.57 111.414 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.563 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -77.81 -63.37 1.4 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 118.413 0.551 . . . . 1.2 110.761 -179.263 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 p -88.33 -18.52 28.3 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 117.759 -1.115 . . . . 0.57 108.367 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.99 -10.76 74.16 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-O 117.802 -1.554 . . . . 0.57 110.862 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.92 158.21 21.67 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.662 1.731 . . . . 0.57 110.344 -173.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.53 175.21 4.25 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 119.586 -0.845 . . . . 0.91 110.439 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -61.82 -52.58 63.58 Favored 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 109.005 -0.739 . . . . 0.57 109.005 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.12 24.05 9.97 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.681 -0.859 . . . . 0.57 108.681 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.35 0.601 0 CA-C-O 118.078 -0.963 . . . . 0.91 111.83 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 CA--C 1.512 -0.495 0 N-CA-C 107.97 -1.122 . . . . 0.91 107.97 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.48 179.93 8.78 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.69 -1.226 . . . . 0.91 107.69 -175.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.49 ' CH2' ' HG2' ' A' ' 28' ' ' LYS . 61.3 p-90 -150.99 161.86 41.94 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 117.715 -1.136 . . . . 0.57 109.558 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -105.41 136.49 44.87 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 124.172 0.92 . . . . 0.57 110.897 -175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.1 t -70.82 153.06 43.08 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 119.5 -0.88 . . . . 0.57 111.654 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.87 30.39 3.04 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.462 0.476 . . . . 0.57 109.876 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -140.22 -52.58 0.5 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-O 118.406 -0.807 . . . . 0.57 109.477 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.3 3.53 17.12 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 117.644 -1.17 . . . . 0.57 112.794 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.9 m 64.62 19.34 11.79 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.865 1.666 . . . . 0.57 113.387 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -83.94 129.96 34.91 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 109.129 -0.693 . . . . 0.57 109.129 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -69.12 112.95 6.06 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 117.09 -1.433 . . . . 0.57 112.549 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -113.87 150.73 33.2 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.844 1.202 . . . . 0.57 111.567 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.95 152.09 10.73 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.092 0.87 . . . . 0.57 111.768 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 83.3 0.71 Allowed 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 120.496 -0.482 . . . . 1.2 111.119 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt 177.34 -49.16 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.621 -0.881 . . . . 0.57 108.621 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.67 112.54 0.47 Allowed 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.927 0.767 . . . . 1.2 109.24 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.71 -23.02 49.64 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 118.09 -0.957 . . . . 0.57 110.742 174.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -146.97 156.35 42.98 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 119.119 -1.032 . . . . 0.57 109.737 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.59 129.14 40.5 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 119.548 -0.861 . . . . 0.57 110.987 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -78.82 -20.67 49.13 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.837 -0.745 . . . . 0.57 111.603 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -66.11 0.78 Allowed 'General case' 0 C--N 1.348 0.511 0 CA-C-O 118.406 -0.807 . . . . 1.2 111.986 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.6 p -83.28 -19.8 35.63 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.71 -1.138 . . . . 0.57 109.161 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.02 -14.0 66.32 Favored Glycine 0 C--N 1.356 1.667 0 CA-C-O 118.108 -1.384 . . . . 0.57 111.544 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.91 160.63 19.35 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 119.064 1.432 . . . . 0.57 111.015 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.56 171.85 1.03 Allowed 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 119.632 -0.827 . . . . 0.91 111.403 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HG2' ' CH2' ' A' ' 5' ' ' TRP . 3.9 mtpt -60.1 -53.71 54.54 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.183 -1.043 . . . . 0.57 108.183 -177.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.39 24.11 9.3 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.209 0.943 . . . . 0.57 109.435 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.9 t0 . . . . . 0 C--N 1.352 0.711 0 CA-C-N 118.576 0.625 . . . . 0.91 110.91 -178.285 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 109.576 -0.527 . . . . 0.91 109.576 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -150.78 177.33 10.2 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.93 -1.033 . . . . 0.91 109.436 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -145.14 159.92 42.24 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 118.001 -1.0 . . . . 0.57 109.522 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mp -102.33 122.99 45.34 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 108.402 -0.962 . . . . 0.57 108.402 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -56.51 151.24 13.79 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 119.187 0.903 . . . . 0.57 112.344 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.71 29.28 2.37 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 120.779 -0.368 . . . . 0.57 110.913 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -140.16 -51.08 0.48 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-O 118.373 -0.822 . . . . 0.57 109.434 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.8 p -112.47 1.17 15.81 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.799 -1.096 . . . . 0.57 112.969 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 66.73 17.71 10.61 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.066 1.757 . . . . 0.57 113.297 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -82.44 131.66 35.22 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 118.604 0.638 . . . . 0.57 109.606 -177.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.92 113.34 5.56 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.566 -1.207 . . . . 0.57 111.273 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -116.01 142.71 46.44 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.905 1.229 . . . . 0.57 111.578 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.23 140.5 1.53 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.113 0.883 . . . . 0.57 113.316 177.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -64.46 -27.13 68.78 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 114.015 1.117 . . . . 1.2 114.015 174.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -69.58 -6.82 33.57 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.626 -1.178 . . . . 0.57 111.504 176.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.58 166.72 11.89 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 119.535 1.061 . . . . 1.2 108.847 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -131.8 24.24 4.66 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 124.093 0.871 . . . . 0.57 109.345 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -173.35 130.35 0.46 Allowed 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 119.836 1.198 . . . . 0.57 109.451 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.0 t -60.69 129.07 39.7 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 118.769 -1.173 . . . . 0.57 111.18 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -79.86 -20.18 46.55 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 118.847 0.748 . . . . 0.57 112.045 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -73.84 -65.18 0.86 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-O 118.39 -0.814 . . . . 1.2 111.138 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -85.14 -18.51 33.97 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.669 -1.157 . . . . 0.57 109.105 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.25 -12.63 68.65 Favored Glycine 0 C--N 1.356 1.652 0 CA-C-N 120.108 1.322 . . . . 0.57 111.366 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.07 166.39 16.71 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 119.276 1.538 . . . . 0.57 111.23 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.0 174.31 6.39 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.461 -0.896 . . . . 0.91 110.496 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -60.72 -54.22 47.86 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 109.422 -0.585 . . . . 0.57 109.422 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.82 21.1 13.03 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.036 -1.098 . . . . 0.57 108.036 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 C--N 1.35 0.625 0 N-CA-C 115.607 1.706 . . . . 0.91 115.607 -175.116 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 CA--C 1.511 -0.522 0 N-CA-C 108.809 -0.811 . . . . 0.91 108.809 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.61 176.01 12.56 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 118.586 -0.721 . . . . 0.91 109.45 -174.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -144.06 161.2 39.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 117.952 -1.023 . . . . 0.57 109.484 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -104.53 119.85 39.92 Favored 'General case' 0 CA--C 1.502 -0.897 0 O-C-N 125.032 1.458 . . . . 0.57 109.215 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -53.62 146.47 13.13 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.121 0.785 . . . . 0.57 113.121 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.58 28.68 2.22 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.307 -0.871 . . . . 0.57 111.268 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -139.02 -59.68 0.59 Allowed 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.904 -0.776 . . . . 0.57 108.904 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -98.28 -5.03 33.88 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 119.214 0.916 . . . . 0.57 112.251 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t 65.05 20.71 12.13 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 119.85 1.205 . . . . 0.57 112.412 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.491 HD13 ' CZ ' ' A' ' 23' ' ' ARG . 2.2 tp -95.87 141.14 29.66 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 108.864 -0.791 . . . . 0.57 108.864 -178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.61 154.1 42.53 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 124.479 1.112 . . . . 0.57 110.885 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.03 138.34 16.65 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 120.137 -0.625 . . . . 0.57 110.63 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.9 138.09 25.15 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.007 0.817 . . . . 0.57 110.717 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -55.36 -27.8 49.75 Favored 'General case' 0 CA--C 1.5 -0.952 0 O-C-N 121.182 -0.948 . . . . 1.2 113.411 174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -22.16 66.7 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.426 -0.91 . . . . 0.57 110.427 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.94 131.34 42.83 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 108.594 -0.891 . . . . 1.2 108.594 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.99 15.43 3.4 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.153 -0.927 . . . . 0.57 111.805 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.68 178.68 0.98 Allowed 'General case' 0 CA--C 1.497 -1.079 0 CA-C-N 120.629 1.559 . . . . 0.57 109.452 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.6 t -83.57 132.51 34.91 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 118.397 0.544 . . . . 0.57 111.165 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -89.27 14.66 10.51 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.833 -1.167 . . . . 0.57 112.865 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.491 ' CZ ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -119.58 -57.7 1.96 Allowed 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 117.983 -1.008 . . . . 1.2 109.331 179.499 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.84 -11.93 21.3 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.977 1.262 . . . . 0.57 112.3 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.85 -29.11 6.04 Favored Glycine 0 C--N 1.359 1.853 0 CA-C-N 120.937 1.699 . . . . 0.57 112.581 -176.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 152.65 30.81 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 119.573 1.686 . . . . 0.57 112.089 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -91.23 152.84 20.36 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 119.975 -0.69 . . . . 0.91 111.266 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -19.71 54.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 118.499 -0.762 . . . . 0.57 111.686 175.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.18 23.43 5.76 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.572 -1.204 . . . . 0.57 109.839 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 t0 . . . . . 0 C--N 1.358 0.957 0 CA-C-N 119.834 1.197 . . . . 0.91 109.395 -177.285 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 108.923 -0.769 . . . . 0.91 108.923 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -148.54 175.57 11.05 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.557 1.143 . . . . 0.91 109.638 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -148.39 167.1 26.14 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.378 1.471 . . . . 0.57 110.154 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -119.94 134.28 55.29 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.515 1.126 . . . . 0.57 109.981 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.2 t -64.97 138.16 58.19 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.498 0.719 . . . . 0.57 109.936 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -84.1 19.85 1.71 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.086 0.955 . . . . 0.57 112.583 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.12 -64.59 0.81 Allowed 'General case' 0 C--N 1.341 0.232 0 C-N-CA 124.33 1.052 . . . . 0.57 109.244 -176.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.4 p -95.45 -5.39 43.14 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.408 1.083 . . . . 0.57 113.502 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.8 m 65.14 17.29 10.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.029 1.331 . . . . 0.57 113.329 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.661 HD22 ' HB2' ' A' ' 23' ' ' ARG . 6.9 tp -78.22 135.02 37.51 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 124.208 1.003 . . . . 0.57 109.795 -179.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.13 154.48 41.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.621 0.369 . . . . 0.57 111.939 171.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -156.62 150.42 24.81 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.027 1.331 . . . . 0.57 110.486 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.19 147.31 35.87 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.893 0.877 . . . . 0.57 111.322 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -31.64 72.47 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.691 -0.631 . . . . 1.2 112.235 175.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -61.18 -30.17 70.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.603 0.761 . . . . 0.57 112.113 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 161.09 2.84 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.761 0.71 . . . . 1.2 110.967 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.58 -45.42 4.43 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.911 0.884 . . . . 0.57 110.594 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -147.61 160.95 42.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.267 1.027 . . . . 0.57 108.888 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 t -64.2 123.66 19.67 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.648 -0.871 . . . . 0.57 108.648 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -76.38 -15.62 59.91 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 119.048 -0.501 . . . . 0.57 111.703 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.661 ' HB2' HD22 ' A' ' 12' ' ' LEU . 2.2 ttm180 -80.72 -67.94 0.73 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 123.687 0.795 . . . . 1.2 110.285 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.8 p -83.43 -20.57 33.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.516 0.726 . . . . 0.57 112.694 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.58 -18.08 55.99 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 118.778 -1.012 . . . . 0.57 112.908 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.24 147.09 42.76 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 118.427 1.114 . . . . 0.57 110.331 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -71.24 152.56 43.19 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 110.209 -0.293 . . . . 0.91 110.209 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -56.71 -21.35 27.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.615 0.766 . . . . 0.57 112.663 171.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.54 20.15 18.91 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.554 1.142 . . . . 0.57 112.579 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 CA--C 1.501 -0.914 0 CA-C-O 114.979 -2.439 . . . . 0.91 110.625 -175.627 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.398 0 N-CA-C 109.642 -0.503 . . . . 0.91 109.642 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -151.35 172.94 15.12 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.893 -1.051 . . . . 0.91 109.348 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.4 ' CH2' ' HB3' ' A' ' 28' ' ' LYS . 52.6 p-90 -143.66 162.07 36.9 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.745 -1.121 . . . . 0.57 110.081 178.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -103.33 132.57 49.48 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 118.143 -0.932 . . . . 0.57 109.982 -175.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.7 t -68.4 152.65 45.12 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 119.477 1.035 . . . . 0.57 111.754 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.87 27.4 3.14 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.258 0.349 . . . . 0.57 110.751 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -140.31 -51.94 0.49 Allowed 'General case' 0 C--N 1.351 0.658 0 CA-C-O 118.083 -0.961 . . . . 0.57 110.458 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.04 1.01 20.25 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.936 -1.031 . . . . 0.57 111.754 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.1 18.54 11.51 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 121.108 1.776 . . . . 0.57 113.024 177.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 13' ' ' ASN . 3.1 tm? -87.6 141.3 28.72 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 118.698 0.681 . . . . 0.57 110.377 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.48 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -78.95 120.82 24.09 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 117.353 -1.308 . . . . 0.57 110.163 -176.381 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -119.87 150.05 41.09 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 119.736 1.153 . . . . 0.57 112.793 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.36 148.09 7.15 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.982 1.426 . . . . 0.57 110.699 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -27.54 68.95 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 119.64 -0.824 . . . . 1.2 112.864 176.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -76.27 -5.88 48.93 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.572 -1.204 . . . . 0.57 112.311 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.74 135.29 38.0 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 120.502 1.501 . . . . 1.2 108.121 -174.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.02 -24.44 40.78 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 118.156 -0.926 . . . . 0.57 109.794 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -150.93 165.87 32.36 Favored 'General case' 0 CA--C 1.496 -1.098 0 C-N-CA 118.976 -1.09 . . . . 0.57 109.209 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t -60.13 126.24 26.77 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 119.252 -0.979 . . . . 0.57 110.394 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.91 -5.09 52.79 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 118.771 0.714 . . . . 0.57 111.916 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -64.77 1.01 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.142 -0.932 . . . . 1.2 110.479 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.0 p -84.56 -17.66 38.13 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.532 1.06 . . . . 0.57 108.431 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.62 -28.07 12.29 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 119.8 1.182 . . . . 0.57 110.788 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.91 154.81 41.47 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 118.233 1.016 . . . . 0.57 111.888 -173.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.05 156.35 38.79 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 119.141 -1.024 . . . . 0.91 111.098 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HB3' ' CH2' ' A' ' 5' ' ' TRP . 8.7 ptpt -57.11 -24.5 54.58 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 117.945 -1.026 . . . . 0.57 111.117 175.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.8 15.41 22.72 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.858 0.754 . . . . 0.57 110.923 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 CA--C 1.505 -0.766 0 CA-C-N 118.93 0.786 . . . . 0.91 108.887 178.41 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 CA--C 1.512 -0.512 0 N-CA-C 109.097 -0.705 . . . . 0.91 109.097 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -154.15 178.2 10.25 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 118.941 -0.552 . . . . 0.91 110.011 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 -145.31 163.24 35.12 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 118.128 -0.939 . . . . 0.57 109.529 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.51 126.96 54.09 Favored 'General case' 0 CA--C 1.5 -0.948 0 O-C-N 124.806 1.316 . . . . 0.57 108.491 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.0 t -61.44 152.53 29.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 118.897 -1.121 . . . . 0.57 112.825 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.93 25.06 4.97 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.066 0.394 . . . . 0.57 111.168 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.81 -58.83 0.67 Allowed 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 108.584 -0.895 . . . . 0.57 108.584 -175.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.8 p -102.29 1.02 35.21 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.396 -0.811 . . . . 0.57 112.612 174.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.14 18.47 11.27 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.146 1.339 . . . . 0.57 113.036 176.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.598 HD22 ' HB2' ' A' ' 23' ' ' ARG . 7.5 tp -86.83 139.38 30.74 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 109.256 -0.646 . . . . 0.57 109.256 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.76 150.28 44.58 Favored 'General case' 0 CA--C 1.511 -0.543 0 O-C-N 123.929 0.768 . . . . 0.57 111.394 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -152.27 141.27 21.2 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.944 -0.55 . . . . 0.57 110.784 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.89 149.21 5.08 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 123.896 0.747 . . . . 0.57 111.725 -177.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.25 71.36 Favored 'General case' 0 CA--C 1.503 -0.851 0 O-C-N 121.482 -0.762 . . . . 1.2 111.745 176.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -64.63 -25.39 67.94 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 119.717 -0.793 . . . . 0.57 110.824 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.56 156.73 7.82 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.912 -0.715 . . . . 1.2 109.712 -177.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.5 -7.42 14.33 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 117.962 -1.018 . . . . 0.57 112.0 173.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 152.13 4.56 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 120.451 1.478 . . . . 0.57 108.266 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 t -61.33 133.67 56.11 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 119.196 -1.002 . . . . 0.57 110.419 -173.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.59 10.67 22.16 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.889 0.768 . . . . 0.57 111.133 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.598 ' HB2' HD22 ' A' ' 12' ' ' LEU . 3.2 ttp180 -113.85 -55.62 2.49 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 118.132 -0.937 . . . . 1.2 109.302 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.8 p -100.5 -9.45 22.07 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 117.184 -1.389 . . . . 0.57 111.531 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 -33.24 4.57 Favored Glycine 0 C--N 1.358 1.76 0 CA-C-N 121.631 2.014 . . . . 0.57 112.936 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.05 151.55 22.02 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 118.866 1.333 . . . . 0.57 111.463 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -93.92 154.57 17.63 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 119.899 -0.72 . . . . 0.91 111.382 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -22.56 40.88 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 118.028 -0.987 . . . . 0.57 112.59 175.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.64 17.26 24.18 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 118.512 -0.756 . . . . 0.57 109.871 177.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.355 0.814 0 CA-C-N 119.515 1.052 . . . . 0.91 110.856 178.836 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 108.551 -0.907 . . . . 0.91 108.551 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.4 p30 -152.9 177.7 10.47 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 118.199 -0.905 . . . . 0.91 109.859 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -143.16 165.9 26.15 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 117.625 -1.179 . . . . 0.57 109.248 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -112.88 127.66 56.25 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.51 1.131 . . . . 0.57 108.938 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.8 t -59.42 152.89 20.42 Favored 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 118.984 -1.087 . . . . 0.57 111.695 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.55 20.11 10.06 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 118.976 -0.535 . . . . 0.57 110.946 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.77 -61.24 0.9 Allowed 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.557 -0.905 . . . . 0.57 108.557 -177.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 p -99.16 0.74 44.04 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 118.117 -0.944 . . . . 0.57 112.789 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 m 63.28 16.42 9.44 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 120.183 1.356 . . . . 0.57 113.574 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 23' ' ' ARG . 4.9 tp -81.76 131.03 35.25 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 108.111 -1.07 . . . . 0.57 108.111 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.06 149.71 48.43 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 118.248 -0.882 . . . . 0.57 111.758 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -152.96 138.61 17.83 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.085 -0.646 . . . . 0.57 112.501 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -55.6 147.96 17.0 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 120.559 -0.456 . . . . 0.57 111.375 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.5 -28.86 69.6 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 119.314 -0.954 . . . . 1.2 111.829 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -59.12 -24.89 63.38 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 119.423 -0.911 . . . . 0.57 110.608 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -65.74 161.49 20.66 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 120.178 -0.609 . . . . 1.2 109.381 -176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.64 3.55 13.09 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 117.841 -1.076 . . . . 0.57 112.212 173.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -178.38 157.95 1.08 Allowed 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 120.455 1.48 . . . . 0.57 107.659 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 t -66.8 127.14 31.32 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 118.753 -1.179 . . . . 0.57 110.605 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -79.88 -8.07 59.09 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 118.445 -0.788 . . . . 0.57 111.587 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.7 ttm180 -90.49 -63.05 1.33 Allowed 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.985 0.811 . . . . 1.2 109.917 -178.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.9 -16.92 34.54 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.698 -1.144 . . . . 0.57 109.588 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.02 -19.77 47.04 Favored Glycine 0 C--N 1.357 1.733 0 CA-C-N 120.217 1.371 . . . . 0.57 111.174 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 152.54 37.16 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 118.941 1.37 . . . . 0.57 110.159 -173.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -75.6 154.7 36.54 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.342 -0.943 . . . . 0.91 112.318 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -21.63 27.96 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-O 117.986 -1.007 . . . . 0.57 112.748 174.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.7 20.27 18.96 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.236 0.925 . . . . 0.57 109.937 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.352 0.698 0 CA-C-N 119.198 0.908 . . . . 0.91 111.575 -179.89 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 121.171 0.51 . . . . 0.91 110.145 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -151.96 179.71 8.22 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 119.069 -0.491 . . . . 0.91 110.147 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -146.79 164.86 31.44 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 118.517 -0.754 . . . . 0.57 109.861 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.593 HD11 ' HA ' ' A' ' 11' ' ' CYS . 10.1 tp -107.19 128.13 54.14 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 125.121 1.513 . . . . 0.57 110.434 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.65 144.07 53.02 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 119.597 -0.841 . . . . 0.57 112.77 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -95.79 33.18 1.71 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 122.096 -0.377 . . . . 0.57 111.401 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -140.65 -59.92 0.51 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 118.896 -0.573 . . . . 0.57 109.512 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.1 p -96.69 -1.38 46.71 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 118.863 -0.589 . . . . 0.57 111.511 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.593 ' HA ' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 68.48 13.37 8.96 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 119.195 0.907 . . . . 0.57 110.952 178.03 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 13' ' ' ASN . 1.0 OUTLIER -96.75 135.74 38.26 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 118.786 0.721 . . . . 0.57 109.57 -174.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.431 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.6 t30 -79.81 150.78 30.6 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 118.792 -0.623 . . . . 0.57 112.16 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -146.98 146.51 30.11 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 119.971 -0.692 . . . . 0.57 111.685 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.25 149.55 7.1 Favored 'General case' 0 CA--C 1.51 -0.559 0 O-C-N 124.694 1.246 . . . . 0.57 111.595 -178.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -25.15 67.67 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 112.763 0.653 . . . . 1.2 112.763 177.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -69.06 -19.96 64.1 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 123.982 0.801 . . . . 0.57 112.446 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.92 126.99 31.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 119.581 -0.848 . . . . 1.2 108.753 -176.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -86.38 6.33 30.63 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 117.72 -1.133 . . . . 0.57 109.568 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -177.15 149.54 0.69 Allowed 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 119.79 1.177 . . . . 0.57 109.315 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.56 127.89 31.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.352 -0.939 . . . . 0.57 111.589 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -86.6 6.5 30.6 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.686 0.675 . . . . 0.57 111.768 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.37 -52.98 2.71 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 118.07 -0.967 . . . . 1.2 111.349 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p -98.45 -15.82 19.47 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 117.673 -1.156 . . . . 0.57 111.058 176.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.63 -32.93 5.46 Favored Glycine 0 C--N 1.357 1.696 0 CA-C-N 120.115 1.325 . . . . 0.57 111.792 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.38 148.45 37.17 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 117.622 0.711 . . . . 0.57 112.172 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.92 155.54 39.77 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 112.767 0.654 . . . . 0.91 112.767 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -18.86 45.62 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 117.908 -1.044 . . . . 0.57 111.946 176.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.49 25.24 11.45 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.472 -0.775 . . . . 0.57 110.204 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--N 1.354 0.764 0 CA-C-O 117.125 -1.417 . . . . 0.91 107.479 -179.539 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 109.047 -0.723 . . . . 0.91 109.047 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -149.97 177.73 9.59 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.283 -0.865 . . . . 0.91 109.557 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -145.63 163.65 34.18 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 117.802 -1.094 . . . . 0.57 109.681 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.5 125.1 50.85 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.43 1.081 . . . . 0.57 108.961 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.55 152.03 15.72 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.22 -0.992 . . . . 0.57 112.476 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.7 24.91 4.32 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 119.384 -0.341 . . . . 0.57 110.886 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -137.81 -53.43 0.65 Allowed 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.645 -0.693 . . . . 0.57 109.225 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.4 p -108.58 0.44 20.77 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 117.822 -1.085 . . . . 0.57 113.109 172.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t 64.39 17.84 11.0 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.036 1.743 . . . . 0.57 113.702 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.655 HD22 ' HB2' ' A' ' 23' ' ' ARG . 13.9 tp -79.47 139.51 37.61 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.093 -1.077 . . . . 0.57 108.093 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.14 146.74 41.1 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 118.225 -0.893 . . . . 0.57 109.927 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -150.21 145.35 26.2 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 119.03 0.832 . . . . 0.57 111.472 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.9 145.63 19.56 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 123.855 0.722 . . . . 0.57 111.398 -176.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -62.06 -27.76 69.13 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 113.644 0.979 . . . . 1.2 113.644 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -22.19 64.29 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 119.089 -1.044 . . . . 0.57 111.526 175.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 166.96 15.51 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 119.209 -0.996 . . . . 1.2 109.999 -174.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -136.56 25.24 3.15 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.083 0.865 . . . . 0.57 111.314 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -173.41 129.88 0.45 Allowed 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 118.448 -1.301 . . . . 0.57 109.256 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.37 130.76 44.46 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 117.998 -1.481 . . . . 0.57 110.843 -173.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -79.12 -18.41 53.31 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.979 -0.688 . . . . 0.57 111.466 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.655 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.3 ttm180 -74.41 -63.1 1.31 Allowed 'General case' 0 C--N 1.35 0.612 0 CA-C-O 119.186 -0.435 . . . . 1.2 110.648 -178.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.9 p -88.23 -19.24 27.09 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.829 -1.081 . . . . 0.57 108.593 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.0 -6.64 82.63 Favored Glycine 0 C--N 1.357 1.719 0 CA-C-O 117.653 -1.637 . . . . 0.57 110.948 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.02 164.48 16.45 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 119.937 1.868 . . . . 0.57 110.613 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.0 173.4 8.46 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.524 -0.87 . . . . 0.91 109.919 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -60.88 -53.13 61.03 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.045 -0.724 . . . . 0.57 109.045 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.67 22.09 12.44 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.635 -0.876 . . . . 0.57 108.635 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.35 0.626 0 CA-C-O 117.967 -1.016 . . . . 0.91 113.661 -176.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 109.587 -0.523 . . . . 0.91 109.587 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -152.59 176.93 11.19 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 118.427 -0.797 . . . . 0.91 109.683 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -143.54 162.21 36.45 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 117.896 -1.05 . . . . 0.57 109.432 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.22 127.46 54.26 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 124.674 1.234 . . . . 0.57 108.937 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.6 t -61.43 151.44 32.55 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 118.894 -1.122 . . . . 0.57 112.363 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -94.23 24.97 4.04 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.979 0.809 . . . . 0.57 111.926 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 -60.7 0.72 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.415 -0.957 . . . . 0.57 108.415 -175.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -99.42 -0.46 40.84 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 118.35 -0.833 . . . . 0.57 112.321 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.33 18.37 11.27 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.066 1.303 . . . . 0.57 113.042 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.593 HD22 ' HB2' ' A' ' 23' ' ' ARG . 8.3 tp -85.45 138.41 32.25 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 109.046 -0.724 . . . . 0.57 109.046 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.86 150.3 42.78 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 123.997 0.81 . . . . 0.57 111.261 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -153.64 143.09 21.65 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.783 -0.627 . . . . 0.57 111.035 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.07 151.57 6.81 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 123.834 0.709 . . . . 0.57 111.199 -175.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -68.64 -24.88 64.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 113.446 0.906 . . . . 1.2 113.446 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -70.17 -18.25 63.19 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.357 -0.609 . . . . 0.57 109.357 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.95 174.3 3.11 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.265 -0.974 . . . . 1.2 109.531 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.76 -50.14 2.79 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 117.236 -1.364 . . . . 0.57 110.058 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -138.19 164.69 28.55 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-N 120.794 1.633 . . . . 0.57 107.905 -174.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.83 132.82 48.84 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 118.975 -1.09 . . . . 0.57 111.087 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -89.48 7.82 34.14 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.552 -0.737 . . . . 0.57 111.86 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.593 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.4 ttp180 -108.86 -55.5 2.39 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 118.141 -0.933 . . . . 1.2 109.554 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p -100.11 -11.3 20.62 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-O 117.095 -1.431 . . . . 0.57 111.575 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.56 -33.0 4.98 Favored Glycine 0 C--N 1.359 1.815 0 CA-C-N 121.622 2.01 . . . . 0.57 112.678 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.03 150.22 17.47 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 118.46 1.13 . . . . 0.57 112.028 -176.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -80.46 155.16 27.2 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 119.49 -0.884 . . . . 0.91 110.273 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -19.53 63.29 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 118.198 -0.906 . . . . 0.57 112.123 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.33 27.53 9.41 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.622 -0.704 . . . . 0.57 109.526 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.353 0.745 0 N-CA-C 108.187 -1.042 . . . . 0.91 108.187 -179.102 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.222 -0.389 0 N-CA-C 107.891 -1.151 . . . . 0.91 107.891 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -152.59 177.06 11.06 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 121.085 -1.009 . . . . 0.91 110.46 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -144.72 164.28 31.48 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 117.989 -1.005 . . . . 0.57 109.359 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -109.52 132.33 54.24 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 124.682 1.239 . . . . 0.57 109.256 -176.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -65.58 153.78 40.59 Favored 'General case' 0 CA--C 1.506 -0.743 0 C-N-CA 118.998 -1.081 . . . . 0.57 112.149 -177.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.95 23.77 6.09 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 123.338 0.399 . . . . 0.57 110.738 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -138.28 -56.79 0.65 Allowed 'General case' 0 C--N 1.351 0.655 0 N-CA-C 108.735 -0.839 . . . . 0.57 108.735 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.8 -1.37 29.9 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-O 118.062 -0.97 . . . . 0.57 112.972 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.92 16.78 10.72 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.837 1.653 . . . . 0.57 113.339 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' A' ' 23' ' ' ARG . 11.1 tp -82.39 142.32 32.07 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.782 -1.192 . . . . 0.57 107.782 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.37 151.82 36.5 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 118.37 -0.824 . . . . 0.57 110.38 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -152.76 147.82 26.51 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 119.148 0.885 . . . . 0.57 111.898 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.31 146.11 35.52 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.542 0.526 . . . . 0.57 110.807 -173.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -56.06 -28.92 59.52 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 114.465 1.283 . . . . 1.2 114.465 173.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -21.47 61.15 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 120.62 -0.432 . . . . 0.57 110.602 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 160.5 10.44 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 119.793 -0.763 . . . . 1.2 109.326 -175.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.76 -30.17 10.08 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 117.691 -1.147 . . . . 0.57 111.593 173.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -156.49 160.05 39.18 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 120.523 1.511 . . . . 0.57 107.871 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 t -63.75 128.58 36.47 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 118.439 -1.304 . . . . 0.57 109.929 -173.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -79.85 -3.98 50.23 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 118.394 -0.813 . . . . 0.57 111.491 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.6 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -93.88 -62.21 1.39 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 118.867 0.758 . . . . 1.2 109.821 -177.818 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.2 p -89.1 -17.47 29.2 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.519 -1.229 . . . . 0.57 108.432 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.59 -16.3 59.45 Favored Glycine 0 C--N 1.356 1.682 0 CA-C-N 120.134 1.333 . . . . 0.57 111.063 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.69 152.53 33.68 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 118.973 1.387 . . . . 0.57 110.257 -172.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.55 153.95 38.83 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.396 -0.922 . . . . 0.91 110.223 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -58.17 -21.16 46.06 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 118.389 -0.815 . . . . 0.57 111.589 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.21 23.94 8.55 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.294 -0.86 . . . . 0.57 109.296 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--N 1.354 0.799 0 CA-C-N 119.933 1.242 . . . . 0.91 109.691 -178.526 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--O 1.221 -0.416 0 N-CA-C 108.416 -0.957 . . . . 0.91 108.416 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.46 -178.75 7.57 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.969 -1.015 . . . . 0.91 109.282 -174.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.403 ' CH2' ' HB3' ' A' ' 28' ' ' LYS . 56.0 p-90 -155.16 166.0 34.95 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.526 -1.226 . . . . 0.57 109.595 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -112.04 132.64 54.69 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 124.534 1.146 . . . . 0.57 109.699 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.57 151.2 45.28 Favored 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 118.534 -1.266 . . . . 0.57 111.099 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -97.32 31.43 2.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.465 0.478 . . . . 0.57 110.821 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.93 -58.92 0.47 Allowed 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.625 -0.702 . . . . 0.57 109.416 -178.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.98 -0.58 44.48 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-O 117.74 -1.124 . . . . 0.57 111.874 173.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.4 m 65.46 18.43 11.29 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.425 1.466 . . . . 0.57 112.136 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.89 136.35 33.13 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 109.164 -0.68 . . . . 0.57 109.164 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -77.92 115.01 17.34 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 117.206 -1.378 . . . . 0.57 111.851 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -115.25 151.37 34.62 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.876 1.217 . . . . 0.57 109.052 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.27 157.12 20.31 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 123.753 0.658 . . . . 0.57 110.642 -176.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -65.87 -33.92 76.94 Favored 'General case' 0 CA--C 1.499 -1.015 0 O-C-N 121.367 -0.833 . . . . 1.2 111.888 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -57.44 -23.07 47.45 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 119.069 -1.052 . . . . 0.57 112.06 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.86 109.37 8.27 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 119.145 0.884 . . . . 1.2 108.719 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -34.86 61.83 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.478 0.581 . . . . 0.57 111.26 174.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -135.94 177.88 7.49 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 117.992 -1.004 . . . . 0.57 110.505 -174.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 t -76.47 134.61 39.47 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 118.277 -0.868 . . . . 0.57 112.274 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.05 8.07 31.68 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 118.957 0.799 . . . . 0.57 112.966 178.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -113.05 -55.36 2.53 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 117.965 -1.017 . . . . 1.2 109.594 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 p -97.64 -12.37 22.51 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 117.137 -1.411 . . . . 0.57 111.339 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 -37.46 3.38 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-N 121.234 1.834 . . . . 0.57 112.272 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.62 148.23 12.89 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 118.053 0.926 . . . . 0.57 112.439 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.44 154.03 42.32 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 119.62 -0.832 . . . . 0.91 112.377 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB3' ' CH2' ' A' ' 5' ' ' TRP . 3.0 ptpt -59.73 -21.19 60.33 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 118.161 -0.923 . . . . 0.57 112.039 175.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.93 25.24 12.02 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 118.138 -0.934 . . . . 0.57 109.52 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 41.5 t0 . . . . . 0 C--N 1.354 0.791 0 CA-C-N 119.831 1.196 . . . . 0.91 108.001 -178.312 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 109.882 -0.414 . . . . 0.91 109.882 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -151.08 176.76 10.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.922 -0.561 . . . . 0.91 109.681 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -142.16 163.01 34.02 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 117.815 -1.088 . . . . 0.57 109.875 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.38 130.22 49.07 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 125.092 1.495 . . . . 0.57 109.151 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.87 151.2 47.53 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 118.94 -1.104 . . . . 0.57 112.428 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -94.76 25.69 3.93 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.27 0.487 . . . . 0.57 111.375 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -135.99 -58.37 0.76 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 109.018 -0.734 . . . . 0.57 109.018 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 p -104.08 1.1 30.52 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.999 -1.001 . . . . 0.57 112.349 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 64.13 19.04 11.6 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.222 1.374 . . . . 0.57 113.288 175.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 23' ' ' ARG . 9.1 tp -87.93 147.91 24.84 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 109.29 -0.633 . . . . 0.57 109.29 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.49 142.24 39.22 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 124.15 0.906 . . . . 0.57 111.285 176.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -141.4 146.99 37.27 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.509 0.595 . . . . 0.57 111.102 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.98 147.55 19.47 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.273 0.983 . . . . 0.57 110.087 -174.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -62.35 -25.83 68.12 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 119.422 1.01 . . . . 1.2 112.245 175.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -20.76 62.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.993 -0.683 . . . . 0.57 109.636 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.86 145.91 55.38 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.625 -0.83 . . . . 1.2 108.851 -173.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.95 -25.71 16.42 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 117.569 -1.205 . . . . 0.57 110.637 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -149.36 159.61 44.13 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-N 120.322 1.419 . . . . 0.57 108.144 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 t -62.44 133.24 54.74 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 118.844 -1.142 . . . . 0.57 109.674 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -88.14 8.01 28.95 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 118.623 -0.703 . . . . 0.57 111.956 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.599 ' HB2' HD22 ' A' ' 12' ' ' LEU . 3.0 ttp180 -112.96 -56.75 2.38 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-O 118.2 -0.905 . . . . 1.2 109.449 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.1 p -98.68 -11.05 22.37 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.245 -1.359 . . . . 0.57 111.668 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.31 -34.72 4.04 Favored Glycine 0 C--N 1.358 1.79 0 CA-C-N 121.446 1.93 . . . . 0.57 112.618 -177.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.28 157.14 5.08 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 119.194 1.497 . . . . 0.57 112.676 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -91.61 174.25 7.46 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 120.766 -0.374 . . . . 0.91 110.491 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -60.59 -52.17 66.32 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.904 -0.776 . . . . 0.57 108.904 -175.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 26.49 8.43 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.225 -1.028 . . . . 0.57 108.225 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.354 0.789 0 CA-C-O 117.213 -1.375 . . . . 0.91 108.903 -177.31 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -103.94 95.86 6.29 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 108.767 -0.827 . . . . 0.57 108.767 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -86.5 59.96 5.94 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 119.05 0.841 . . . . 0.57 110.732 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.59 61.22 0.21 Allowed 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 119.821 -0.752 . . . . 0.91 110.024 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -151.29 177.36 10.32 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 121.461 -0.774 . . . . 0.91 110.195 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 -148.51 168.37 22.92 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 117.037 -1.458 . . . . 0.57 109.777 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 7' ' ' CYS . 1.4 pp -119.71 134.47 55.22 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 124.89 1.369 . . . . 0.57 111.147 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.52 ' O ' HD12 ' A' ' 6' ' ' LEU . 38.0 t -65.57 147.76 52.88 Favored 'General case' 0 CA--C 1.504 -0.819 0 C-N-CA 118.933 -1.107 . . . . 0.57 111.078 -175.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -90.91 23.18 3.27 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 119.087 -0.483 . . . . 0.57 111.58 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 -62.1 0.77 Allowed 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.225 -1.028 . . . . 0.57 108.225 -177.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.3 p -95.53 -1.01 51.45 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 118.52 -0.753 . . . . 0.57 112.697 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m 68.1 15.38 9.42 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.683 1.128 . . . . 0.57 113.994 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.665 HD22 ' HB2' ' A' ' 23' ' ' ARG . 7.4 tp -84.19 141.48 31.0 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-O 118.604 -0.712 . . . . 0.57 109.59 -175.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.46 160.45 30.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.932 -0.556 . . . . 0.57 112.214 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -161.31 153.53 19.96 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.786 -0.766 . . . . 0.57 111.592 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.26 148.77 43.83 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.016 0.822 . . . . 0.57 110.898 -174.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -31.71 72.58 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 112.748 0.647 . . . . 1.2 112.748 175.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.2 -24.47 67.37 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 119.511 -0.875 . . . . 0.57 111.528 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 170.75 0.56 Allowed 'General case' 0 C--N 1.349 0.548 0 C-N-CA 119.705 -0.798 . . . . 1.2 110.042 -176.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.98 -37.81 3.78 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 117.19 -1.386 . . . . 0.57 110.358 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -154.39 162.03 41.39 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 121.379 1.899 . . . . 0.57 107.113 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 t -63.97 127.13 30.05 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 118.634 -1.226 . . . . 0.57 110.343 -174.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -79.23 -11.03 59.95 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 118.508 -0.758 . . . . 0.57 111.184 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.665 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.7 ttm180 -85.19 -64.53 1.14 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.772 0.715 . . . . 1.2 110.194 -178.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 p -86.5 -17.33 34.44 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 117.643 -1.17 . . . . 0.57 109.811 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.56 -17.53 58.32 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-N 120.184 1.357 . . . . 0.57 111.398 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.77 154.7 29.74 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 119.124 1.462 . . . . 0.57 110.634 -173.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -78.19 153.15 32.25 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 119.568 -0.853 . . . . 0.91 111.285 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -59.58 -20.78 58.18 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 118.014 -0.993 . . . . 0.57 110.762 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.83 24.86 12.05 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.02 0.827 . . . . 0.57 109.78 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 58.01 -96.57 0.07 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.28 0.946 . . . . 0.91 110.032 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.597 0 CA-C-N 121.259 1.845 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.96 99.21 8.97 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 108.478 -0.934 . . . . 0.57 108.478 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -89.67 55.34 3.16 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 119.366 0.985 . . . . 0.57 110.553 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.73 65.12 0.14 Allowed 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.642 -0.503 . . . . 0.91 109.642 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -153.01 178.53 9.6 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 118.007 -0.996 . . . . 0.91 109.142 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.401 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 57.6 p-90 -149.65 165.02 33.59 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 117.749 -1.119 . . . . 0.57 109.63 175.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.29 134.78 51.36 Favored 'General case' 0 CA--C 1.501 -0.91 0 O-C-N 124.454 1.096 . . . . 0.57 109.814 -176.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.31 152.76 41.91 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 118.92 -1.112 . . . . 0.57 112.087 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.44 29.18 3.35 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 123.654 0.596 . . . . 0.57 110.71 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -139.31 -59.51 0.58 Allowed 'General case' 0 C--N 1.35 0.589 0 N-CA-C 108.87 -0.789 . . . . 0.57 108.87 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.0 p -101.49 -0.78 34.53 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.855 -1.069 . . . . 0.57 111.743 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.0 m 63.47 22.43 13.22 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.461 1.482 . . . . 0.57 111.983 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -95.82 136.91 35.62 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 109.064 -0.717 . . . . 0.57 109.064 -177.678 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.607 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.4 t30 -70.2 149.07 47.88 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 117.972 -1.013 . . . . 0.57 111.928 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -147.06 151.34 36.73 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.382 0.992 . . . . 0.57 111.324 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.5 149.72 20.43 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 124.385 1.053 . . . . 0.57 110.925 -174.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -24.93 66.63 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 113.946 1.091 . . . . 1.2 113.946 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -74.3 -11.77 60.36 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 118.048 -0.977 . . . . 0.57 109.143 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 130.26 35.33 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.575 1.079 . . . . 1.2 109.316 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.69 13.57 6.94 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.689 -1.148 . . . . 0.57 111.516 173.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -174.43 172.8 3.09 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 121.542 1.973 . . . . 0.57 108.966 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 t -81.95 132.36 35.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 118.93 -1.108 . . . . 0.57 110.804 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.55 11.48 19.44 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.938 0.79 . . . . 0.57 111.529 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.85 -56.63 2.36 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 118.132 -0.937 . . . . 1.2 109.686 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 p -98.04 -12.06 22.29 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 117.081 -1.438 . . . . 0.57 111.206 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.48 -38.3 3.21 Favored Glycine 0 C--N 1.356 1.693 0 CA-C-N 121.319 1.872 . . . . 0.57 112.37 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.9 158.76 3.56 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 118.457 1.129 . . . . 0.57 113.108 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -86.23 174.45 9.09 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.98 -0.688 . . . . 0.91 110.228 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 5' ' ' TRP . 5.6 mtpm? -62.15 -53.3 57.28 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.703 -0.48 . . . . 0.57 109.703 -176.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.96 19.48 16.12 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 107.96 -1.126 . . . . 0.57 107.96 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 59.39 -37.64 0.07 Allowed 'General case' 0 C--N 1.349 0.576 0 N-CA-C 116.501 2.038 . . . . 0.91 116.501 -175.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.626 0 CA-C-N 123.81 3.005 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.483 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -100.85 100.36 11.0 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 107.437 -1.32 . . . . 0.57 107.437 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -91.0 50.94 1.86 Allowed 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 119.895 -0.722 . . . . 0.57 109.215 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -160.06 61.02 0.35 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.179 0.9 . . . . 0.91 108.593 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -154.84 176.53 12.37 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.142 -0.932 . . . . 0.91 109.543 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -151.27 161.75 42.15 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 118.022 -0.989 . . . . 0.57 110.018 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.15 139.84 40.04 Favored 'General case' 0 CA--C 1.504 -0.811 0 O-C-N 124.141 0.901 . . . . 0.57 111.589 -177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.3 t -77.91 151.16 33.9 Favored 'General case' 0 CA--C 1.506 -0.735 0 C-N-CA 118.929 -1.109 . . . . 0.57 110.753 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.45 30.92 2.38 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 123.617 0.573 . . . . 0.57 110.231 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -141.28 -56.34 0.49 Allowed 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.91 -1.043 . . . . 0.57 109.828 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.9 p -100.93 -1.17 35.21 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.5 1.045 . . . . 0.57 111.616 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 20.62 10.46 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.794 1.634 . . . . 0.57 112.076 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 13' ' ' ASN . 3.3 tm? -96.13 141.78 29.09 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.051 0.841 . . . . 0.57 108.779 -175.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.548 ' N ' HD13 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -85.82 116.23 23.94 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 117.655 -1.164 . . . . 0.57 110.535 -176.578 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -113.34 152.05 30.43 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 119.734 1.152 . . . . 0.57 111.129 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.42 151.85 35.91 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.053 0.846 . . . . 0.57 108.825 -175.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -20.59 59.11 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 114.327 1.232 . . . . 1.2 114.327 173.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -8.69 59.75 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 118.24 -0.886 . . . . 0.57 108.622 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.47 109.31 13.71 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.611 -1.996 . . . . 1.2 105.611 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -60.26 -23.43 64.1 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-O 117.781 -1.104 . . . . 0.57 109.502 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -149.59 161.82 41.4 Favored 'General case' 0 CA--C 1.497 -1.063 0 C-N-CA 118.862 -1.135 . . . . 0.57 109.961 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 t -59.47 131.77 51.96 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 119.094 -1.043 . . . . 0.57 109.8 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -89.04 10.11 22.84 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.146 0.884 . . . . 0.57 112.371 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.5 -56.22 2.41 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 117.564 -1.208 . . . . 1.2 109.419 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 26' ' ' ALA . 8.2 p -94.85 -14.61 24.43 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.105 -1.426 . . . . 0.57 111.323 175.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.74 -38.04 3.27 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-N 121.218 1.826 . . . . 0.57 111.883 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . . . -53.29 149.7 7.04 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 118.553 1.177 . . . . 0.57 113.066 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.62 156.23 35.11 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 119.637 -0.825 . . . . 0.91 110.88 -177.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -60.52 -21.67 62.74 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.414 -0.803 . . . . 0.57 111.92 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.3 17.92 21.34 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.965 -1.017 . . . . 0.57 110.756 177.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -128.76 -10.76 4.94 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.528 -1.225 . . . . 0.91 113.907 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.75 0 CA-C-N 123.117 2.69 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.467 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -95.65 50.76 1.23 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 109.052 -0.721 . . . . 0.57 109.052 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.18 62.77 6.82 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 108.622 -0.881 . . . . 0.57 108.622 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 68.24 64.38 0.35 Allowed 'General case' 0 C--N 1.349 0.583 0 N-CA-C 109.159 -0.682 . . . . 0.91 109.159 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.6 173.77 14.78 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.18 -0.914 . . . . 0.91 109.325 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -145.71 165.78 27.78 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.381 -0.818 . . . . 0.57 110.105 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 11' ' ' CYS . 11.5 tp -106.91 127.54 53.52 Favored 'General case' 0 CA--C 1.504 -0.797 0 O-C-N 124.659 1.224 . . . . 0.57 109.584 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.6 t -67.95 149.27 49.97 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.147 1.166 . . . . 0.57 114.147 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.29 28.3 3.73 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 117.917 0.326 . . . . 0.57 110.979 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.61 -64.5 0.49 Allowed 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.871 -0.788 . . . . 0.57 108.871 -175.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.8 p -92.51 -2.53 56.16 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 120.015 -0.674 . . . . 0.57 111.879 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.493 ' HA ' HD11 ' A' ' 6' ' ' LEU . 0.7 OUTLIER 68.33 22.84 7.86 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 119.054 0.843 . . . . 0.57 112.109 175.2 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 ' CZ ' ' A' ' 23' ' ' ARG . 1.3 tp -106.63 145.61 31.73 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.846 0.748 . . . . 0.57 109.429 -176.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.61 161.55 30.63 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 118.396 -0.812 . . . . 0.57 111.748 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -154.83 148.11 24.96 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 120.253 -0.579 . . . . 0.57 110.945 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.56 149.37 25.73 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.174 0.922 . . . . 0.57 110.806 -175.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -61.41 -31.07 70.98 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 119.439 -0.904 . . . . 1.2 112.613 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -68.78 -18.52 64.21 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 119.329 -0.948 . . . . 0.57 112.039 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.09 104.04 2.91 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 107.549 -1.278 . . . . 1.2 107.549 -175.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -27.54 13.72 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 113.494 0.924 . . . . 0.57 113.494 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -144.61 -179.59 6.66 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 106.671 -1.603 . . . . 0.57 106.671 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -79.53 147.25 32.24 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 119.267 -0.973 . . . . 0.57 112.651 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -92.88 20.96 6.05 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.859 0.754 . . . . 0.57 112.52 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' CZ ' HD13 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -130.77 -56.27 1.06 Allowed 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 117.697 -1.145 . . . . 1.2 108.985 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.6 p -105.23 -1.17 25.66 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.795 1.18 . . . . 0.57 112.537 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.88 24.28 57.59 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-N 121.24 1.836 . . . . 0.57 114.786 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.9 144.46 26.21 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.567 1.684 . . . . 0.57 109.364 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.89 157.11 25.63 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 120.047 -0.661 . . . . 0.91 109.824 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -66.16 -51.52 57.09 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 120.14 -0.624 . . . . 0.57 109.807 -172.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.33 24.76 9.81 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.003 -1.11 . . . . 0.57 108.003 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 58.45 -1.83 0.09 Allowed 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.696 1.369 . . . . 0.91 114.696 -174.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.633 0 CA-C-N 123.693 2.952 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.51 108.12 18.9 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 108.545 -0.909 . . . . 0.57 108.545 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -92.04 45.98 1.24 Allowed 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.274 -0.639 . . . . 0.57 109.274 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.31 60.0 0.9 Allowed 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 108.134 -1.062 . . . . 0.91 108.134 -177.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.87 178.52 0.17 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.385 -0.825 . . . . 0.91 111.694 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.8 p-90 -135.89 166.12 24.05 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.905 -1.045 . . . . 0.57 110.533 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mp -114.59 127.95 56.06 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.52 1.137 . . . . 0.57 110.895 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 t -57.75 152.62 15.23 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 118.721 -1.192 . . . . 0.57 110.635 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -95.74 25.74 4.44 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.483 0.489 . . . . 0.57 111.014 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.69 -59.24 0.67 Allowed 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 108.676 -0.861 . . . . 0.57 108.676 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.86 -1.28 37.86 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-O 118.247 -0.882 . . . . 0.57 112.379 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t 63.5 18.75 11.28 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 120.137 1.335 . . . . 0.57 113.495 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.571 HD22 ' HB2' ' A' ' 23' ' ' ARG . 4.3 tp -83.42 123.25 29.5 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 106.809 -1.552 . . . . 0.57 106.809 -176.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.02 144.53 56.67 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 118.092 -0.956 . . . . 0.57 111.451 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -148.04 134.46 19.64 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.547 -0.739 . . . . 0.57 111.375 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.88 145.91 1.84 Allowed 'General case' 0 C--N 1.354 0.768 0 O-C-N 123.991 0.807 . . . . 0.57 112.142 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -30.85 70.72 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.951 -0.7 . . . . 1.2 110.919 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.88 -34.89 4.12 Favored 'General case' 0 C--O 1.221 -0.429 0 O-C-N 123.574 0.546 . . . . 0.57 110.77 174.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -72.15 163.01 28.66 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 120.138 -0.625 . . . . 1.2 109.726 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.63 -32.18 6.53 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 117.071 -1.442 . . . . 0.57 111.102 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -145.01 153.56 41.61 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 121.265 1.848 . . . . 0.57 107.159 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 t -62.29 128.98 38.62 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 119.037 -1.065 . . . . 0.57 110.535 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -78.2 -20.01 52.71 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 120.146 -0.622 . . . . 0.57 110.566 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -74.23 -63.69 1.18 Allowed 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.127 -0.94 . . . . 1.2 110.942 -179.471 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.25 -19.32 30.13 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.555 -1.212 . . . . 0.57 109.526 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.14 -12.15 70.31 Favored Glycine 0 C--N 1.356 1.668 0 CA-C-N 120.169 1.349 . . . . 0.57 111.863 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.92 158.62 21.52 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 118.147 0.974 . . . . 0.57 109.845 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -69.11 152.94 44.54 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 120.082 -0.647 . . . . 0.91 110.863 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.24 60.46 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 118.039 -0.982 . . . . 0.57 111.703 174.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.46 27.27 9.71 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.846 0.748 . . . . 0.57 110.467 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -129.18 142.13 50.96 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 107.932 -1.136 . . . . 0.91 107.932 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.435 0 CA-C-N 119.548 1.067 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -92.7 56.68 2.72 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.055 -1.091 . . . . 0.57 108.055 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -89.82 35.45 0.84 Allowed 'General case' 0 C--N 1.351 0.651 0 N-CA-C 109.064 -0.717 . . . . 0.57 109.064 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -168.45 56.65 0.06 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.88 1.218 . . . . 0.91 108.813 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.18 178.12 10.56 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.945 -1.026 . . . . 0.91 108.354 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -149.19 168.02 24.4 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.164 -1.398 . . . . 0.57 109.729 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -118.98 145.13 46.06 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.668 1.23 . . . . 0.57 110.942 -176.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.497 ' O ' HD12 ' A' ' 6' ' ' LEU . 49.8 t -82.95 145.02 29.61 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 118.655 -1.218 . . . . 0.57 111.57 -174.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.87 27.51 2.08 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 118.692 0.678 . . . . 0.57 111.018 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.31 -59.56 0.82 Allowed 'General case' 0 C--N 1.35 0.611 0 N-CA-C 108.833 -0.803 . . . . 0.57 108.833 -176.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 p -102.37 2.07 36.26 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-O 118.556 -0.735 . . . . 0.57 112.217 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.87 18.71 10.66 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.682 1.128 . . . . 0.57 112.99 175.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.603 HD22 ' HB2' ' A' ' 23' ' ' ARG . 6.9 tp -94.05 144.76 25.19 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 118.685 0.675 . . . . 0.57 110.052 -176.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.67 164.03 26.28 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 123.831 0.707 . . . . 0.57 111.766 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -161.0 145.68 13.85 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 120.29 -0.564 . . . . 0.57 111.735 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.68 148.24 7.54 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 123.86 0.725 . . . . 0.57 112.701 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -30.35 70.01 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 112.917 0.71 . . . . 1.2 112.917 174.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -19.08 62.96 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 118.278 -0.868 . . . . 0.57 111.195 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 168.23 18.84 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 119.277 -0.969 . . . . 1.2 110.719 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -136.17 25.67 3.25 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.053 0.846 . . . . 0.57 110.053 176.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -174.69 139.22 0.53 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 119.891 1.223 . . . . 0.57 109.647 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 t -65.32 134.95 54.68 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 118.514 -1.274 . . . . 0.57 110.169 -173.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -90.42 8.56 33.07 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.957 0.799 . . . . 0.57 112.258 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.603 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.4 ttp180 -110.39 -55.72 2.43 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 117.996 -1.002 . . . . 1.2 108.937 179.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.8 p -100.92 -10.71 20.37 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-O 116.947 -1.502 . . . . 0.57 111.839 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.33 -35.33 4.07 Favored Glycine 0 C--N 1.357 1.728 0 CA-C-N 121.766 2.075 . . . . 0.57 112.418 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.58 150.74 4.77 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 118.161 0.98 . . . . 0.57 112.643 -174.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -78.76 150.33 32.44 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 119.713 -0.795 . . . . 0.91 111.455 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -20.87 63.66 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.974 -1.012 . . . . 0.57 112.147 174.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.65 24.68 11.85 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.859 0.754 . . . . 0.57 109.797 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -75.44 98.74 3.98 Favored 'General case' 0 CA--C 1.509 -0.634 0 O-C-N 121.544 -0.723 . . . . 0.91 109.251 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.505 0 CA-C-N 119.288 0.949 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.424 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -113.14 -168.49 1.33 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.511 -0.922 . . . . 0.57 108.511 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -79.99 58.55 2.96 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 117.873 0.306 . . . . 0.57 110.39 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 72.0 64.51 0.14 Allowed 'General case' 0 C--N 1.349 0.576 0 C-N-CA 120.577 -0.449 . . . . 0.91 110.234 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.22 175.5 12.11 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.278 -0.868 . . . . 0.91 109.702 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -147.01 166.36 27.06 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 117.398 -1.287 . . . . 0.57 109.846 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -114.43 132.59 56.2 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.436 1.085 . . . . 0.57 110.55 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.6 t -61.96 153.24 29.93 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 119.022 -1.071 . . . . 0.57 111.624 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.72 22.68 6.95 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 123.36 0.413 . . . . 0.57 110.499 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.19 -59.97 0.77 Allowed 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.884 -0.784 . . . . 0.57 108.884 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -100.25 -1.89 35.21 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 118.344 -0.836 . . . . 0.57 112.68 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 63.89 18.34 11.11 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.393 1.451 . . . . 0.57 114.066 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 23' ' ' ARG . 8.4 tp -81.06 134.46 35.67 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.591 -1.263 . . . . 0.57 107.591 -178.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.39 159.82 30.8 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.616 -0.707 . . . . 0.57 110.555 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -160.41 148.71 16.6 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 119.662 -0.815 . . . . 0.57 111.587 176.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.91 143.89 46.41 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.032 0.832 . . . . 0.57 110.539 -175.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -30.74 62.09 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 112.808 0.67 . . . . 1.2 112.808 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -23.86 62.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 118.573 -1.251 . . . . 0.57 110.273 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 137.38 32.48 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 118.272 -0.871 . . . . 1.2 110.002 -174.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -103.42 24.82 10.43 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-N 118.687 0.676 . . . . 0.57 110.539 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -178.58 163.63 1.53 Allowed 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 119.67 1.123 . . . . 0.57 109.851 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.6 t -89.45 130.19 35.83 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 119.577 -0.849 . . . . 0.57 111.249 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -81.21 -15.13 56.54 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 118.879 -0.582 . . . . 0.57 111.414 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.563 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -77.81 -63.37 1.4 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 118.413 0.551 . . . . 1.2 110.761 -179.263 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 p -88.33 -18.52 28.3 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 117.759 -1.115 . . . . 0.57 108.367 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.99 -10.76 74.16 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-O 117.802 -1.554 . . . . 0.57 110.862 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.92 158.21 21.67 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.662 1.731 . . . . 0.57 110.344 -173.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.53 175.21 4.25 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 119.586 -0.845 . . . . 0.91 110.439 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -61.82 -52.58 63.58 Favored 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 109.005 -0.739 . . . . 0.57 109.005 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.12 24.05 9.97 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.681 -0.859 . . . . 0.57 108.681 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.96 -86.03 0.02 OUTLIER 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.078 -0.963 . . . . 0.91 111.83 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.546 0 CA-C-N 121.979 2.172 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.415 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.57 93.73 5.76 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 107.767 -1.197 . . . . 0.57 107.767 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -83.45 56.34 3.54 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.968 -1.083 . . . . 0.57 111.959 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -167.14 62.33 0.08 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.97 -1.122 . . . . 0.91 107.97 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.48 179.93 8.78 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.69 -1.226 . . . . 0.91 107.69 -175.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.49 ' CH2' ' HG2' ' A' ' 28' ' ' LYS . 61.3 p-90 -150.99 161.86 41.94 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 117.715 -1.136 . . . . 0.57 109.558 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -105.41 136.49 44.87 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 124.172 0.92 . . . . 0.57 110.897 -175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.1 t -70.82 153.06 43.08 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 119.5 -0.88 . . . . 0.57 111.654 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.87 30.39 3.04 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.462 0.476 . . . . 0.57 109.876 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -140.22 -52.58 0.5 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-O 118.406 -0.807 . . . . 0.57 109.477 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.3 3.53 17.12 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 117.644 -1.17 . . . . 0.57 112.794 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.9 m 64.62 19.34 11.79 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.865 1.666 . . . . 0.57 113.387 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -83.94 129.96 34.91 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 109.129 -0.693 . . . . 0.57 109.129 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -69.12 112.95 6.06 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 117.09 -1.433 . . . . 0.57 112.549 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -113.87 150.73 33.2 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.844 1.202 . . . . 0.57 111.567 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.95 152.09 10.73 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.092 0.87 . . . . 0.57 111.768 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 83.3 0.71 Allowed 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 120.496 -0.482 . . . . 1.2 111.119 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt 177.34 -49.16 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.621 -0.881 . . . . 0.57 108.621 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.67 112.54 0.47 Allowed 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.927 0.767 . . . . 1.2 109.24 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.71 -23.02 49.64 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 118.09 -0.957 . . . . 0.57 110.742 174.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -146.97 156.35 42.98 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 119.119 -1.032 . . . . 0.57 109.737 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.59 129.14 40.5 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 119.548 -0.861 . . . . 0.57 110.987 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -78.82 -20.67 49.13 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.837 -0.745 . . . . 0.57 111.603 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -66.11 0.78 Allowed 'General case' 0 C--N 1.348 0.511 0 CA-C-O 118.406 -0.807 . . . . 1.2 111.986 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.6 p -83.28 -19.8 35.63 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.71 -1.138 . . . . 0.57 109.161 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.02 -14.0 66.32 Favored Glycine 0 C--N 1.356 1.667 0 CA-C-O 118.108 -1.384 . . . . 0.57 111.544 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.91 160.63 19.35 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 119.064 1.432 . . . . 0.57 111.015 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.56 171.85 1.03 Allowed 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 119.632 -0.827 . . . . 0.91 111.403 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HG2' ' CH2' ' A' ' 5' ' ' TRP . 3.9 mtpt -60.1 -53.71 54.54 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.183 -1.043 . . . . 0.57 108.183 -177.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.39 24.11 9.3 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.209 0.943 . . . . 0.57 109.435 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.9 t0 54.97 90.09 0.03 OUTLIER 'General case' 0 C--N 1.352 0.711 0 CA-C-N 118.576 0.625 . . . . 0.91 110.91 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.541 0 O-C-N 119.569 -1.957 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.46 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.87 101.47 11.28 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 107.487 -1.301 . . . . 0.57 107.487 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -91.45 50.21 1.7 Allowed 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 118.825 0.739 . . . . 0.57 109.433 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -158.7 57.25 0.44 Allowed 'General case' 0 C--N 1.353 0.76 0 C-N-CA 119.763 -0.775 . . . . 0.91 109.576 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -150.78 177.33 10.2 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.93 -1.033 . . . . 0.91 109.436 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -145.14 159.92 42.24 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 118.001 -1.0 . . . . 0.57 109.522 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mp -102.33 122.99 45.34 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 108.402 -0.962 . . . . 0.57 108.402 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -56.51 151.24 13.79 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 119.187 0.903 . . . . 0.57 112.344 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.71 29.28 2.37 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 120.779 -0.368 . . . . 0.57 110.913 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -140.16 -51.08 0.48 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-O 118.373 -0.822 . . . . 0.57 109.434 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.8 p -112.47 1.17 15.81 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.799 -1.096 . . . . 0.57 112.969 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 66.73 17.71 10.61 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.066 1.757 . . . . 0.57 113.297 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -82.44 131.66 35.22 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 118.604 0.638 . . . . 0.57 109.606 -177.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.92 113.34 5.56 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.566 -1.207 . . . . 0.57 111.273 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -116.01 142.71 46.44 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.905 1.229 . . . . 0.57 111.578 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.23 140.5 1.53 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.113 0.883 . . . . 0.57 113.316 177.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -64.46 -27.13 68.78 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 114.015 1.117 . . . . 1.2 114.015 174.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -69.58 -6.82 33.57 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.626 -1.178 . . . . 0.57 111.504 176.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.58 166.72 11.89 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 119.535 1.061 . . . . 1.2 108.847 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -131.8 24.24 4.66 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 124.093 0.871 . . . . 0.57 109.345 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -173.35 130.35 0.46 Allowed 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 119.836 1.198 . . . . 0.57 109.451 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.0 t -60.69 129.07 39.7 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 118.769 -1.173 . . . . 0.57 111.18 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -79.86 -20.18 46.55 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 118.847 0.748 . . . . 0.57 112.045 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -73.84 -65.18 0.86 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-O 118.39 -0.814 . . . . 1.2 111.138 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -85.14 -18.51 33.97 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.669 -1.157 . . . . 0.57 109.105 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.25 -12.63 68.65 Favored Glycine 0 C--N 1.356 1.652 0 CA-C-N 120.108 1.322 . . . . 0.57 111.366 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.07 166.39 16.71 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 119.276 1.538 . . . . 0.57 111.23 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.0 174.31 6.39 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.461 -0.896 . . . . 0.91 110.496 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -60.72 -54.22 47.86 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 109.422 -0.585 . . . . 0.57 109.422 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.82 21.1 13.03 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.036 -1.098 . . . . 0.57 108.036 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t70 63.35 -27.8 0.08 Allowed 'General case' 0 C--N 1.35 0.625 0 N-CA-C 115.607 1.706 . . . . 0.91 115.607 -175.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.665 0 CA-C-N 123.765 2.984 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.418 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.21 99.54 9.41 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 107.942 -1.133 . . . . 0.57 107.942 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -87.82 51.26 2.16 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 121.724 -0.61 . . . . 0.57 109.636 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -159.94 60.65 0.36 Allowed 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.549 1.068 . . . . 0.91 108.809 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.61 176.01 12.56 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 118.586 -0.721 . . . . 0.91 109.45 -174.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -144.06 161.2 39.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 117.952 -1.023 . . . . 0.57 109.484 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -104.53 119.85 39.92 Favored 'General case' 0 CA--C 1.502 -0.897 0 O-C-N 125.032 1.458 . . . . 0.57 109.215 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -53.62 146.47 13.13 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.121 0.785 . . . . 0.57 113.121 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.58 28.68 2.22 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.307 -0.871 . . . . 0.57 111.268 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -139.02 -59.68 0.59 Allowed 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.904 -0.776 . . . . 0.57 108.904 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -98.28 -5.03 33.88 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 119.214 0.916 . . . . 0.57 112.251 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t 65.05 20.71 12.13 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 119.85 1.205 . . . . 0.57 112.412 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.491 HD13 ' CZ ' ' A' ' 23' ' ' ARG . 2.2 tp -95.87 141.14 29.66 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 108.864 -0.791 . . . . 0.57 108.864 -178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.61 154.1 42.53 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 124.479 1.112 . . . . 0.57 110.885 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.03 138.34 16.65 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 120.137 -0.625 . . . . 0.57 110.63 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.9 138.09 25.15 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.007 0.817 . . . . 0.57 110.717 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -55.36 -27.8 49.75 Favored 'General case' 0 CA--C 1.5 -0.952 0 O-C-N 121.182 -0.948 . . . . 1.2 113.411 174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -22.16 66.7 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.426 -0.91 . . . . 0.57 110.427 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.94 131.34 42.83 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 108.594 -0.891 . . . . 1.2 108.594 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.99 15.43 3.4 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.153 -0.927 . . . . 0.57 111.805 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.68 178.68 0.98 Allowed 'General case' 0 CA--C 1.497 -1.079 0 CA-C-N 120.629 1.559 . . . . 0.57 109.452 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.6 t -83.57 132.51 34.91 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 118.397 0.544 . . . . 0.57 111.165 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -89.27 14.66 10.51 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.833 -1.167 . . . . 0.57 112.865 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.491 ' CZ ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -119.58 -57.7 1.96 Allowed 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 117.983 -1.008 . . . . 1.2 109.331 179.499 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.84 -11.93 21.3 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.977 1.262 . . . . 0.57 112.3 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.85 -29.11 6.04 Favored Glycine 0 C--N 1.359 1.853 0 CA-C-N 120.937 1.699 . . . . 0.57 112.581 -176.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 152.65 30.81 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 119.573 1.686 . . . . 0.57 112.089 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -91.23 152.84 20.36 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 119.975 -0.69 . . . . 0.91 111.266 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -19.71 54.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 118.499 -0.762 . . . . 0.57 111.686 175.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.18 23.43 5.76 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.572 -1.204 . . . . 0.57 109.839 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -117.79 -73.79 0.63 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-N 119.834 1.197 . . . . 0.91 109.395 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.674 0 CA-C-N 121.224 1.829 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.588 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -103.8 93.57 4.97 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 124.97 1.418 . . . . 0.57 109.001 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -87.41 60.02 5.83 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.302 0.641 . . . . 0.57 111.043 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.42 64.59 0.59 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 108.923 -0.769 . . . . 0.91 108.923 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -148.54 175.57 11.05 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.557 1.143 . . . . 0.91 109.638 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -148.39 167.1 26.14 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.378 1.471 . . . . 0.57 110.154 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -119.94 134.28 55.29 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.515 1.126 . . . . 0.57 109.981 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.2 t -64.97 138.16 58.19 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.498 0.719 . . . . 0.57 109.936 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -84.1 19.85 1.71 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.086 0.955 . . . . 0.57 112.583 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.12 -64.59 0.81 Allowed 'General case' 0 C--N 1.341 0.232 0 C-N-CA 124.33 1.052 . . . . 0.57 109.244 -176.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.4 p -95.45 -5.39 43.14 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.408 1.083 . . . . 0.57 113.502 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.8 m 65.14 17.29 10.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.029 1.331 . . . . 0.57 113.329 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.661 HD22 ' HB2' ' A' ' 23' ' ' ARG . 6.9 tp -78.22 135.02 37.51 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 124.208 1.003 . . . . 0.57 109.795 -179.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.13 154.48 41.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.621 0.369 . . . . 0.57 111.939 171.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -156.62 150.42 24.81 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.027 1.331 . . . . 0.57 110.486 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.19 147.31 35.87 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.893 0.877 . . . . 0.57 111.322 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -31.64 72.47 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.691 -0.631 . . . . 1.2 112.235 175.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -61.18 -30.17 70.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.603 0.761 . . . . 0.57 112.113 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 161.09 2.84 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.761 0.71 . . . . 1.2 110.967 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.58 -45.42 4.43 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.911 0.884 . . . . 0.57 110.594 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -147.61 160.95 42.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.267 1.027 . . . . 0.57 108.888 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 t -64.2 123.66 19.67 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.648 -0.871 . . . . 0.57 108.648 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -76.38 -15.62 59.91 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 119.048 -0.501 . . . . 0.57 111.703 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.661 ' HB2' HD22 ' A' ' 12' ' ' LEU . 2.2 ttm180 -80.72 -67.94 0.73 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 123.687 0.795 . . . . 1.2 110.285 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.8 p -83.43 -20.57 33.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.516 0.726 . . . . 0.57 112.694 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.58 -18.08 55.99 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 118.778 -1.012 . . . . 0.57 112.908 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.24 147.09 42.76 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 118.427 1.114 . . . . 0.57 110.331 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -71.24 152.56 43.19 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 110.209 -0.293 . . . . 0.91 110.209 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -56.71 -21.35 27.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.615 0.766 . . . . 0.57 112.663 171.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.54 20.15 18.91 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.554 1.142 . . . . 0.57 112.579 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 57.58 -92.57 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 114.979 -2.439 . . . . 0.91 110.625 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 125.058 1.473 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.491 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -113.96 -171.27 1.87 Allowed 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 123.822 0.702 . . . . 0.57 109.138 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -74.49 61.11 0.91 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.721 -0.657 . . . . 0.57 111.292 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.03 63.93 0.17 Allowed 'General case' 0 C--N 1.351 0.646 0 CA-C-N 118.462 0.573 . . . . 0.91 109.642 176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -151.35 172.94 15.12 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.893 -1.051 . . . . 0.91 109.348 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.4 ' CH2' ' HB3' ' A' ' 28' ' ' LYS . 52.6 p-90 -143.66 162.07 36.9 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.745 -1.121 . . . . 0.57 110.081 178.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -103.33 132.57 49.48 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 118.143 -0.932 . . . . 0.57 109.982 -175.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.7 t -68.4 152.65 45.12 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 119.477 1.035 . . . . 0.57 111.754 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.87 27.4 3.14 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.258 0.349 . . . . 0.57 110.751 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -140.31 -51.94 0.49 Allowed 'General case' 0 C--N 1.351 0.658 0 CA-C-O 118.083 -0.961 . . . . 0.57 110.458 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.04 1.01 20.25 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.936 -1.031 . . . . 0.57 111.754 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.1 18.54 11.51 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 121.108 1.776 . . . . 0.57 113.024 177.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 13' ' ' ASN . 3.1 tm? -87.6 141.3 28.72 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 118.698 0.681 . . . . 0.57 110.377 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.48 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -78.95 120.82 24.09 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 117.353 -1.308 . . . . 0.57 110.163 -176.381 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -119.87 150.05 41.09 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 119.736 1.153 . . . . 0.57 112.793 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.36 148.09 7.15 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.982 1.426 . . . . 0.57 110.699 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -27.54 68.95 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 119.64 -0.824 . . . . 1.2 112.864 176.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -76.27 -5.88 48.93 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.572 -1.204 . . . . 0.57 112.311 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.74 135.29 38.0 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 120.502 1.501 . . . . 1.2 108.121 -174.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.02 -24.44 40.78 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 118.156 -0.926 . . . . 0.57 109.794 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -150.93 165.87 32.36 Favored 'General case' 0 CA--C 1.496 -1.098 0 C-N-CA 118.976 -1.09 . . . . 0.57 109.209 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t -60.13 126.24 26.77 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 119.252 -0.979 . . . . 0.57 110.394 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.91 -5.09 52.79 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 118.771 0.714 . . . . 0.57 111.916 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -64.77 1.01 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.142 -0.932 . . . . 1.2 110.479 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.0 p -84.56 -17.66 38.13 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.532 1.06 . . . . 0.57 108.431 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.62 -28.07 12.29 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 119.8 1.182 . . . . 0.57 110.788 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.91 154.81 41.47 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 118.233 1.016 . . . . 0.57 111.888 -173.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.05 156.35 38.79 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 119.141 -1.024 . . . . 0.91 111.098 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HB3' ' CH2' ' A' ' 5' ' ' TRP . 8.7 ptpt -57.11 -24.5 54.58 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 117.945 -1.026 . . . . 0.57 111.117 175.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.8 15.41 22.72 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.858 0.754 . . . . 0.57 110.923 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -152.17 26.78 0.61 Allowed 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 118.93 0.786 . . . . 0.91 108.887 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 120.886 -1.134 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.604 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -88.68 51.32 2.14 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.961 -0.696 . . . . 0.57 109.486 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -84.88 64.75 8.81 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.496 -0.928 . . . . 0.57 108.496 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 65.14 67.62 0.52 Allowed 'General case' 0 C--N 1.349 0.58 0 N-CA-C 109.097 -0.705 . . . . 0.91 109.097 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -154.15 178.2 10.25 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 118.941 -0.552 . . . . 0.91 110.011 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 -145.31 163.24 35.12 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 118.128 -0.939 . . . . 0.57 109.529 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.51 126.96 54.09 Favored 'General case' 0 CA--C 1.5 -0.948 0 O-C-N 124.806 1.316 . . . . 0.57 108.491 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.0 t -61.44 152.53 29.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 118.897 -1.121 . . . . 0.57 112.825 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.93 25.06 4.97 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.066 0.394 . . . . 0.57 111.168 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.81 -58.83 0.67 Allowed 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 108.584 -0.895 . . . . 0.57 108.584 -175.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.8 p -102.29 1.02 35.21 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.396 -0.811 . . . . 0.57 112.612 174.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.14 18.47 11.27 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.146 1.339 . . . . 0.57 113.036 176.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.598 HD22 ' HB2' ' A' ' 23' ' ' ARG . 7.5 tp -86.83 139.38 30.74 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 109.256 -0.646 . . . . 0.57 109.256 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.76 150.28 44.58 Favored 'General case' 0 CA--C 1.511 -0.543 0 O-C-N 123.929 0.768 . . . . 0.57 111.394 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -152.27 141.27 21.2 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.944 -0.55 . . . . 0.57 110.784 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.89 149.21 5.08 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 123.896 0.747 . . . . 0.57 111.725 -177.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.25 71.36 Favored 'General case' 0 CA--C 1.503 -0.851 0 O-C-N 121.482 -0.762 . . . . 1.2 111.745 176.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -64.63 -25.39 67.94 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 119.717 -0.793 . . . . 0.57 110.824 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.56 156.73 7.82 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.912 -0.715 . . . . 1.2 109.712 -177.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.5 -7.42 14.33 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 117.962 -1.018 . . . . 0.57 112.0 173.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 152.13 4.56 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 120.451 1.478 . . . . 0.57 108.266 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 t -61.33 133.67 56.11 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 119.196 -1.002 . . . . 0.57 110.419 -173.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.59 10.67 22.16 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.889 0.768 . . . . 0.57 111.133 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.598 ' HB2' HD22 ' A' ' 12' ' ' LEU . 3.2 ttp180 -113.85 -55.62 2.49 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 118.132 -0.937 . . . . 1.2 109.302 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.8 p -100.5 -9.45 22.07 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 117.184 -1.389 . . . . 0.57 111.531 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 -33.24 4.57 Favored Glycine 0 C--N 1.358 1.76 0 CA-C-N 121.631 2.014 . . . . 0.57 112.936 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.05 151.55 22.02 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 118.866 1.333 . . . . 0.57 111.463 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -93.92 154.57 17.63 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 119.899 -0.72 . . . . 0.91 111.382 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -22.56 40.88 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 118.028 -0.987 . . . . 0.57 112.59 175.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.64 17.26 24.18 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 118.512 -0.756 . . . . 0.57 109.871 177.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -155.68 31.61 0.36 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.515 1.052 . . . . 0.91 110.856 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.604 0 O-C-N 119.703 -1.873 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.424 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -103.9 102.29 12.09 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 107.758 -1.201 . . . . 0.57 107.758 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -92.72 50.16 1.55 Allowed 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.238 -1.023 . . . . 0.57 108.238 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -163.89 63.76 0.16 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.551 -0.907 . . . . 0.91 108.551 -176.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.4 p30 -152.9 177.7 10.47 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 118.199 -0.905 . . . . 0.91 109.859 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -143.16 165.9 26.15 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 117.625 -1.179 . . . . 0.57 109.248 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -112.88 127.66 56.25 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.51 1.131 . . . . 0.57 108.938 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.8 t -59.42 152.89 20.42 Favored 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 118.984 -1.087 . . . . 0.57 111.695 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.55 20.11 10.06 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 118.976 -0.535 . . . . 0.57 110.946 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.77 -61.24 0.9 Allowed 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.557 -0.905 . . . . 0.57 108.557 -177.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 p -99.16 0.74 44.04 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 118.117 -0.944 . . . . 0.57 112.789 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 m 63.28 16.42 9.44 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 120.183 1.356 . . . . 0.57 113.574 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 23' ' ' ARG . 4.9 tp -81.76 131.03 35.25 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 108.111 -1.07 . . . . 0.57 108.111 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.06 149.71 48.43 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 118.248 -0.882 . . . . 0.57 111.758 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -152.96 138.61 17.83 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.085 -0.646 . . . . 0.57 112.501 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -55.6 147.96 17.0 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 120.559 -0.456 . . . . 0.57 111.375 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.5 -28.86 69.6 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 119.314 -0.954 . . . . 1.2 111.829 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -59.12 -24.89 63.38 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 119.423 -0.911 . . . . 0.57 110.608 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -65.74 161.49 20.66 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 120.178 -0.609 . . . . 1.2 109.381 -176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.64 3.55 13.09 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 117.841 -1.076 . . . . 0.57 112.212 173.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -178.38 157.95 1.08 Allowed 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 120.455 1.48 . . . . 0.57 107.659 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 t -66.8 127.14 31.32 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 118.753 -1.179 . . . . 0.57 110.605 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -79.88 -8.07 59.09 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 118.445 -0.788 . . . . 0.57 111.587 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.7 ttm180 -90.49 -63.05 1.33 Allowed 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.985 0.811 . . . . 1.2 109.917 -178.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.9 -16.92 34.54 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.698 -1.144 . . . . 0.57 109.588 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.02 -19.77 47.04 Favored Glycine 0 C--N 1.357 1.733 0 CA-C-N 120.217 1.371 . . . . 0.57 111.174 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 152.54 37.16 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 118.941 1.37 . . . . 0.57 110.159 -173.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -75.6 154.7 36.54 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.342 -0.943 . . . . 0.91 112.318 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -21.63 27.96 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-O 117.986 -1.007 . . . . 0.57 112.748 174.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.7 20.27 18.96 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.236 0.925 . . . . 0.57 109.937 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -91.31 -30.59 16.49 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.198 0.908 . . . . 0.91 111.575 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.575 0 CA-C-N 120.034 1.288 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.423 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -85.46 92.5 8.51 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 120.017 -0.673 . . . . 0.57 109.368 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -89.14 54.11 2.87 Favored 'General case' 0 CA--C 1.509 -0.623 0 O-C-N 121.83 -0.544 . . . . 0.57 110.309 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 67.45 66.69 0.39 Allowed 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.377 -0.529 . . . . 0.91 110.145 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -151.96 179.71 8.22 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 119.069 -0.491 . . . . 0.91 110.147 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -146.79 164.86 31.44 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 118.517 -0.754 . . . . 0.57 109.861 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.593 HD11 ' HA ' ' A' ' 11' ' ' CYS . 10.1 tp -107.19 128.13 54.14 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 125.121 1.513 . . . . 0.57 110.434 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.65 144.07 53.02 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 119.597 -0.841 . . . . 0.57 112.77 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -95.79 33.18 1.71 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 122.096 -0.377 . . . . 0.57 111.401 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -140.65 -59.92 0.51 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 118.896 -0.573 . . . . 0.57 109.512 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.1 p -96.69 -1.38 46.71 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 118.863 -0.589 . . . . 0.57 111.511 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.593 ' HA ' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 68.48 13.37 8.96 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 119.195 0.907 . . . . 0.57 110.952 178.03 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 13' ' ' ASN . 1.0 OUTLIER -96.75 135.74 38.26 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 118.786 0.721 . . . . 0.57 109.57 -174.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.431 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.6 t30 -79.81 150.78 30.6 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 118.792 -0.623 . . . . 0.57 112.16 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -146.98 146.51 30.11 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 119.971 -0.692 . . . . 0.57 111.685 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.25 149.55 7.1 Favored 'General case' 0 CA--C 1.51 -0.559 0 O-C-N 124.694 1.246 . . . . 0.57 111.595 -178.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -25.15 67.67 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 112.763 0.653 . . . . 1.2 112.763 177.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -69.06 -19.96 64.1 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 123.982 0.801 . . . . 0.57 112.446 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.92 126.99 31.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 119.581 -0.848 . . . . 1.2 108.753 -176.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -86.38 6.33 30.63 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 117.72 -1.133 . . . . 0.57 109.568 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -177.15 149.54 0.69 Allowed 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 119.79 1.177 . . . . 0.57 109.315 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.56 127.89 31.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.352 -0.939 . . . . 0.57 111.589 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -86.6 6.5 30.6 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.686 0.675 . . . . 0.57 111.768 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.37 -52.98 2.71 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 118.07 -0.967 . . . . 1.2 111.349 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p -98.45 -15.82 19.47 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 117.673 -1.156 . . . . 0.57 111.058 176.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.63 -32.93 5.46 Favored Glycine 0 C--N 1.357 1.696 0 CA-C-N 120.115 1.325 . . . . 0.57 111.792 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.38 148.45 37.17 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 117.622 0.711 . . . . 0.57 112.172 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.92 155.54 39.77 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 112.767 0.654 . . . . 0.91 112.767 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -18.86 45.62 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 117.908 -1.044 . . . . 0.57 111.946 176.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.49 25.24 11.45 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.472 -0.775 . . . . 0.57 110.204 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -115.97 -156.79 0.63 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.125 -1.417 . . . . 0.91 107.479 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.678 0 CA-C-N 122.963 2.619 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.449 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -103.63 99.2 9.0 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 108.234 -1.024 . . . . 0.57 108.234 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -91.04 60.61 4.37 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 119.485 1.039 . . . . 0.57 109.279 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 65.54 65.57 0.55 Allowed 'General case' 0 C--N 1.348 0.541 0 N-CA-C 109.047 -0.723 . . . . 0.91 109.047 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -149.97 177.73 9.59 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.283 -0.865 . . . . 0.91 109.557 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -145.63 163.65 34.18 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 117.802 -1.094 . . . . 0.57 109.681 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.5 125.1 50.85 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.43 1.081 . . . . 0.57 108.961 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.55 152.03 15.72 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.22 -0.992 . . . . 0.57 112.476 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.7 24.91 4.32 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 119.384 -0.341 . . . . 0.57 110.886 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -137.81 -53.43 0.65 Allowed 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.645 -0.693 . . . . 0.57 109.225 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.4 p -108.58 0.44 20.77 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 117.822 -1.085 . . . . 0.57 113.109 172.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t 64.39 17.84 11.0 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.036 1.743 . . . . 0.57 113.702 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.655 HD22 ' HB2' ' A' ' 23' ' ' ARG . 13.9 tp -79.47 139.51 37.61 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.093 -1.077 . . . . 0.57 108.093 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.14 146.74 41.1 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 118.225 -0.893 . . . . 0.57 109.927 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -150.21 145.35 26.2 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 119.03 0.832 . . . . 0.57 111.472 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.9 145.63 19.56 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 123.855 0.722 . . . . 0.57 111.398 -176.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -62.06 -27.76 69.13 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 113.644 0.979 . . . . 1.2 113.644 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -22.19 64.29 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 119.089 -1.044 . . . . 0.57 111.526 175.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 166.96 15.51 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 119.209 -0.996 . . . . 1.2 109.999 -174.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -136.56 25.24 3.15 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.083 0.865 . . . . 0.57 111.314 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -173.41 129.88 0.45 Allowed 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 118.448 -1.301 . . . . 0.57 109.256 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.37 130.76 44.46 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 117.998 -1.481 . . . . 0.57 110.843 -173.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -79.12 -18.41 53.31 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.979 -0.688 . . . . 0.57 111.466 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.655 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.3 ttm180 -74.41 -63.1 1.31 Allowed 'General case' 0 C--N 1.35 0.612 0 CA-C-O 119.186 -0.435 . . . . 1.2 110.648 -178.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.9 p -88.23 -19.24 27.09 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.829 -1.081 . . . . 0.57 108.593 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.0 -6.64 82.63 Favored Glycine 0 C--N 1.357 1.719 0 CA-C-O 117.653 -1.637 . . . . 0.57 110.948 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.02 164.48 16.45 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 119.937 1.868 . . . . 0.57 110.613 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.0 173.4 8.46 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.524 -0.87 . . . . 0.91 109.919 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -60.88 -53.13 61.03 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.045 -0.724 . . . . 0.57 109.045 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' NH2 . 0.1 OUTLIER -100.67 22.09 12.44 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.635 -0.876 . . . . 0.57 108.635 -178.424 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 56.68 -66.38 0.02 OUTLIER 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.967 -1.016 . . . . 0.91 113.661 -176.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . . . . . . 0 C--N 1.348 0.509 0 CA-C-N 122.074 2.216 . . . . -0.8 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.56 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -82.6 51.06 1.78 Allowed 'General case' 0 C--N 1.349 0.566 0 C-N-CA 120.287 -0.565 . . . . 0.57 109.557 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -83.37 65.88 8.55 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 107.588 -1.264 . . . . 0.57 107.588 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 64.35 66.15 0.63 Allowed 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.16 -0.616 . . . . 0.91 109.587 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -152.59 176.93 11.19 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 118.427 -0.797 . . . . 0.91 109.683 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -143.54 162.21 36.45 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 117.896 -1.05 . . . . 0.57 109.432 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.22 127.46 54.26 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 124.674 1.234 . . . . 0.57 108.937 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.6 t -61.43 151.44 32.55 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 118.894 -1.122 . . . . 0.57 112.363 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -94.23 24.97 4.04 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.979 0.809 . . . . 0.57 111.926 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 -60.7 0.72 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.415 -0.957 . . . . 0.57 108.415 -175.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -99.42 -0.46 40.84 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 118.35 -0.833 . . . . 0.57 112.321 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.33 18.37 11.27 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.066 1.303 . . . . 0.57 113.042 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.593 HD22 ' HB2' ' A' ' 23' ' ' ARG . 8.3 tp -85.45 138.41 32.25 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 109.046 -0.724 . . . . 0.57 109.046 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.86 150.3 42.78 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 123.997 0.81 . . . . 0.57 111.261 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -153.64 143.09 21.65 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.783 -0.627 . . . . 0.57 111.035 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.07 151.57 6.81 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 123.834 0.709 . . . . 0.57 111.199 -175.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -68.64 -24.88 64.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 113.446 0.906 . . . . 1.2 113.446 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -70.17 -18.25 63.19 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.357 -0.609 . . . . 0.57 109.357 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.95 174.3 3.11 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.265 -0.974 . . . . 1.2 109.531 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.76 -50.14 2.79 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 117.236 -1.364 . . . . 0.57 110.058 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -138.19 164.69 28.55 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-N 120.794 1.633 . . . . 0.57 107.905 -174.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.83 132.82 48.84 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 118.975 -1.09 . . . . 0.57 111.087 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -89.48 7.82 34.14 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.552 -0.737 . . . . 0.57 111.86 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.593 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.4 ttp180 -108.86 -55.5 2.39 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 118.141 -0.933 . . . . 1.2 109.554 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p -100.11 -11.3 20.62 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-O 117.095 -1.431 . . . . 0.57 111.575 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.56 -33.0 4.98 Favored Glycine 0 C--N 1.359 1.815 0 CA-C-N 121.622 2.01 . . . . 0.57 112.678 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.03 150.22 17.47 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 118.46 1.13 . . . . 0.57 112.028 -176.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -80.46 155.16 27.2 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 119.49 -0.884 . . . . 0.91 110.273 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -19.53 63.29 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 118.198 -0.906 . . . . 0.57 112.123 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.33 27.53 9.41 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.622 -0.704 . . . . 0.57 109.526 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -156.05 120.41 4.56 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.187 -1.042 . . . . 0.91 108.187 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.485 0 CA-C-N 120.447 1.476 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.411 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -103.48 98.7 8.55 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 107.942 -1.133 . . . . 0.57 107.942 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -89.42 50.5 1.93 Allowed 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 119.376 0.989 . . . . 0.57 110.066 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.03 77.84 0.02 OUTLIER 'General case' 0 C--N 1.353 0.733 0 N-CA-C 107.891 -1.151 . . . . 0.91 107.891 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -152.59 177.06 11.06 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 121.085 -1.009 . . . . 0.91 110.46 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -144.72 164.28 31.48 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 117.989 -1.005 . . . . 0.57 109.359 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -109.52 132.33 54.24 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 124.682 1.239 . . . . 0.57 109.256 -176.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -65.58 153.78 40.59 Favored 'General case' 0 CA--C 1.506 -0.743 0 C-N-CA 118.998 -1.081 . . . . 0.57 112.149 -177.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.95 23.77 6.09 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 123.338 0.399 . . . . 0.57 110.738 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -138.28 -56.79 0.65 Allowed 'General case' 0 C--N 1.351 0.655 0 N-CA-C 108.735 -0.839 . . . . 0.57 108.735 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.8 -1.37 29.9 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-O 118.062 -0.97 . . . . 0.57 112.972 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.92 16.78 10.72 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.837 1.653 . . . . 0.57 113.339 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' A' ' 23' ' ' ARG . 11.1 tp -82.39 142.32 32.07 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.782 -1.192 . . . . 0.57 107.782 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.37 151.82 36.5 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 118.37 -0.824 . . . . 0.57 110.38 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -152.76 147.82 26.51 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 119.148 0.885 . . . . 0.57 111.898 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.31 146.11 35.52 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.542 0.526 . . . . 0.57 110.807 -173.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -56.06 -28.92 59.52 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 114.465 1.283 . . . . 1.2 114.465 173.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -21.47 61.15 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 120.62 -0.432 . . . . 0.57 110.602 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 160.5 10.44 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 119.793 -0.763 . . . . 1.2 109.326 -175.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.76 -30.17 10.08 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 117.691 -1.147 . . . . 0.57 111.593 173.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -156.49 160.05 39.18 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 120.523 1.511 . . . . 0.57 107.871 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 t -63.75 128.58 36.47 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 118.439 -1.304 . . . . 0.57 109.929 -173.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -79.85 -3.98 50.23 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 118.394 -0.813 . . . . 0.57 111.491 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.6 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -93.88 -62.21 1.39 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 118.867 0.758 . . . . 1.2 109.821 -177.818 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.2 p -89.1 -17.47 29.2 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.519 -1.229 . . . . 0.57 108.432 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.59 -16.3 59.45 Favored Glycine 0 C--N 1.356 1.682 0 CA-C-N 120.134 1.333 . . . . 0.57 111.063 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.69 152.53 33.68 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 118.973 1.387 . . . . 0.57 110.257 -172.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.55 153.95 38.83 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.396 -0.922 . . . . 0.91 110.223 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -58.17 -21.16 46.06 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 118.389 -0.815 . . . . 0.57 111.589 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.21 23.94 8.55 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.294 -0.86 . . . . 0.57 109.296 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -148.44 -69.34 0.22 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.933 1.242 . . . . 0.91 109.691 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.464 0 CA-C-N 120.328 1.422 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.406 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.45 -166.24 1.09 Allowed 'General case' 0 C--N 1.352 0.711 0 N-CA-C 108.573 -0.899 . . . . 0.57 108.573 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -88.92 37.92 0.86 Allowed 'General case' 0 C--N 1.349 0.579 0 CA-C-O 118.08 -0.962 . . . . 0.57 110.195 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -167.9 62.59 0.07 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.571 1.078 . . . . 0.91 108.416 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.46 -178.75 7.57 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.969 -1.015 . . . . 0.91 109.282 -174.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.403 ' CH2' ' HB3' ' A' ' 28' ' ' LYS . 56.0 p-90 -155.16 166.0 34.95 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.526 -1.226 . . . . 0.57 109.595 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -112.04 132.64 54.69 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 124.534 1.146 . . . . 0.57 109.699 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.57 151.2 45.28 Favored 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 118.534 -1.266 . . . . 0.57 111.099 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -97.32 31.43 2.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.465 0.478 . . . . 0.57 110.821 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.93 -58.92 0.47 Allowed 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.625 -0.702 . . . . 0.57 109.416 -178.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.98 -0.58 44.48 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-O 117.74 -1.124 . . . . 0.57 111.874 173.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.4 m 65.46 18.43 11.29 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.425 1.466 . . . . 0.57 112.136 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.89 136.35 33.13 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 109.164 -0.68 . . . . 0.57 109.164 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -77.92 115.01 17.34 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 117.206 -1.378 . . . . 0.57 111.851 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -115.25 151.37 34.62 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.876 1.217 . . . . 0.57 109.052 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.27 157.12 20.31 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 123.753 0.658 . . . . 0.57 110.642 -176.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -65.87 -33.92 76.94 Favored 'General case' 0 CA--C 1.499 -1.015 0 O-C-N 121.367 -0.833 . . . . 1.2 111.888 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -57.44 -23.07 47.45 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 119.069 -1.052 . . . . 0.57 112.06 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.86 109.37 8.27 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 119.145 0.884 . . . . 1.2 108.719 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -34.86 61.83 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.478 0.581 . . . . 0.57 111.26 174.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -135.94 177.88 7.49 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 117.992 -1.004 . . . . 0.57 110.505 -174.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 t -76.47 134.61 39.47 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 118.277 -0.868 . . . . 0.57 112.274 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.05 8.07 31.68 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 118.957 0.799 . . . . 0.57 112.966 178.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -113.05 -55.36 2.53 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 117.965 -1.017 . . . . 1.2 109.594 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 p -97.64 -12.37 22.51 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 117.137 -1.411 . . . . 0.57 111.339 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 -37.46 3.38 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-N 121.234 1.834 . . . . 0.57 112.272 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.62 148.23 12.89 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 118.053 0.926 . . . . 0.57 112.439 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.44 154.03 42.32 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 119.62 -0.832 . . . . 0.91 112.377 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB3' ' CH2' ' A' ' 5' ' ' TRP . 3.0 ptpt -59.73 -21.19 60.33 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 118.161 -0.923 . . . . 0.57 112.039 175.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.93 25.24 12.02 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 118.138 -0.934 . . . . 0.57 109.52 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -138.47 108.04 6.21 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.831 1.196 . . . . 0.91 108.001 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.521 0 CA-C-N 119.369 0.986 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -81.41 52.2 1.8 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.872 -0.731 . . . . 0.57 109.822 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -85.16 64.48 8.7 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 107.696 -1.224 . . . . 0.57 107.696 -174.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 65.77 64.89 0.55 Allowed 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 119.932 -0.707 . . . . 0.91 109.882 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -151.08 176.76 10.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.922 -0.561 . . . . 0.91 109.681 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -142.16 163.01 34.02 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 117.815 -1.088 . . . . 0.57 109.875 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.38 130.22 49.07 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 125.092 1.495 . . . . 0.57 109.151 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.87 151.2 47.53 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 118.94 -1.104 . . . . 0.57 112.428 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -94.76 25.69 3.93 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.27 0.487 . . . . 0.57 111.375 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -135.99 -58.37 0.76 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 109.018 -0.734 . . . . 0.57 109.018 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 p -104.08 1.1 30.52 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.999 -1.001 . . . . 0.57 112.349 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 64.13 19.04 11.6 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.222 1.374 . . . . 0.57 113.288 175.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 23' ' ' ARG . 9.1 tp -87.93 147.91 24.84 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 109.29 -0.633 . . . . 0.57 109.29 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.49 142.24 39.22 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 124.15 0.906 . . . . 0.57 111.285 176.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -141.4 146.99 37.27 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.509 0.595 . . . . 0.57 111.102 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.98 147.55 19.47 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.273 0.983 . . . . 0.57 110.087 -174.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -62.35 -25.83 68.12 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 119.422 1.01 . . . . 1.2 112.245 175.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -20.76 62.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.993 -0.683 . . . . 0.57 109.636 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.86 145.91 55.38 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.625 -0.83 . . . . 1.2 108.851 -173.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.95 -25.71 16.42 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 117.569 -1.205 . . . . 0.57 110.637 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -149.36 159.61 44.13 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-N 120.322 1.419 . . . . 0.57 108.144 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 t -62.44 133.24 54.74 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 118.844 -1.142 . . . . 0.57 109.674 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -88.14 8.01 28.95 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 118.623 -0.703 . . . . 0.57 111.956 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.599 ' HB2' HD22 ' A' ' 12' ' ' LEU . 3.0 ttp180 -112.96 -56.75 2.38 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-O 118.2 -0.905 . . . . 1.2 109.449 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.1 p -98.68 -11.05 22.37 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.245 -1.359 . . . . 0.57 111.668 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.31 -34.72 4.04 Favored Glycine 0 C--N 1.358 1.79 0 CA-C-N 121.446 1.93 . . . . 0.57 112.618 -177.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.28 157.14 5.08 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 119.194 1.497 . . . . 0.57 112.676 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -91.61 174.25 7.46 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 120.766 -0.374 . . . . 0.91 110.491 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -60.59 -52.17 66.32 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.904 -0.776 . . . . 0.57 108.904 -175.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 26.49 8.43 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.225 -1.028 . . . . 0.57 108.225 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 t70 51.89 -133.58 1.77 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.213 -1.375 . . . . 0.91 108.903 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.571 0 CA-C-N 122.943 2.61 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 110.024 -0.361 . . . . 0.91 110.024 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -151.29 177.36 10.32 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 121.461 -0.774 . . . . 0.91 110.195 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 -148.51 168.37 22.92 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 117.037 -1.458 . . . . 0.57 109.777 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 7' ' ' CYS . 1.4 pp -119.71 134.47 55.22 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 124.89 1.369 . . . . 0.57 111.147 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.52 ' O ' HD12 ' A' ' 6' ' ' LEU . 38.0 t -65.57 147.76 52.88 Favored 'General case' 0 CA--C 1.504 -0.819 0 C-N-CA 118.933 -1.107 . . . . 0.57 111.078 -175.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -90.91 23.18 3.27 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 119.087 -0.483 . . . . 0.57 111.58 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 -62.1 0.77 Allowed 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.225 -1.028 . . . . 0.57 108.225 -177.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.3 p -95.53 -1.01 51.45 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 118.52 -0.753 . . . . 0.57 112.697 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m 68.1 15.38 9.42 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.683 1.128 . . . . 0.57 113.994 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.665 HD22 ' HB2' ' A' ' 23' ' ' ARG . 7.4 tp -84.19 141.48 31.0 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-O 118.604 -0.712 . . . . 0.57 109.59 -175.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.46 160.45 30.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.932 -0.556 . . . . 0.57 112.214 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -161.31 153.53 19.96 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.786 -0.766 . . . . 0.57 111.592 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.26 148.77 43.83 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.016 0.822 . . . . 0.57 110.898 -174.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -31.71 72.58 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 112.748 0.647 . . . . 1.2 112.748 175.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.2 -24.47 67.37 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 119.511 -0.875 . . . . 0.57 111.528 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 170.75 0.56 Allowed 'General case' 0 C--N 1.349 0.548 0 C-N-CA 119.705 -0.798 . . . . 1.2 110.042 -176.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.98 -37.81 3.78 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 117.19 -1.386 . . . . 0.57 110.358 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -154.39 162.03 41.39 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 121.379 1.899 . . . . 0.57 107.113 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 t -63.97 127.13 30.05 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 118.634 -1.226 . . . . 0.57 110.343 -174.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -79.23 -11.03 59.95 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 118.508 -0.758 . . . . 0.57 111.184 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.665 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.7 ttm180 -85.19 -64.53 1.14 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.772 0.715 . . . . 1.2 110.194 -178.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 p -86.5 -17.33 34.44 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 117.643 -1.17 . . . . 0.57 109.811 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.56 -17.53 58.32 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-N 120.184 1.357 . . . . 0.57 111.398 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.77 154.7 29.74 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 119.124 1.462 . . . . 0.57 110.634 -173.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -78.19 153.15 32.25 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 119.568 -0.853 . . . . 0.91 111.285 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -59.58 -20.78 58.18 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 118.014 -0.993 . . . . 0.57 110.762 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.83 24.86 12.05 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.02 0.827 . . . . 0.57 109.78 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 . . . . . 0 C--N 1.352 0.68 0 CA-C-N 119.28 0.946 . . . . 0.91 110.032 -179.833 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.435 0 N-CA-C 109.642 -0.503 . . . . 0.91 109.642 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -153.01 178.53 9.6 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 118.007 -0.996 . . . . 0.91 109.142 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.401 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 57.6 p-90 -149.65 165.02 33.59 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 117.749 -1.119 . . . . 0.57 109.63 175.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.29 134.78 51.36 Favored 'General case' 0 CA--C 1.501 -0.91 0 O-C-N 124.454 1.096 . . . . 0.57 109.814 -176.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.31 152.76 41.91 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 118.92 -1.112 . . . . 0.57 112.087 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.44 29.18 3.35 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 123.654 0.596 . . . . 0.57 110.71 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -139.31 -59.51 0.58 Allowed 'General case' 0 C--N 1.35 0.589 0 N-CA-C 108.87 -0.789 . . . . 0.57 108.87 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.0 p -101.49 -0.78 34.53 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.855 -1.069 . . . . 0.57 111.743 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.0 m 63.47 22.43 13.22 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.461 1.482 . . . . 0.57 111.983 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -95.82 136.91 35.62 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 109.064 -0.717 . . . . 0.57 109.064 -177.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.607 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.4 t30 -70.2 149.07 47.88 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 117.972 -1.013 . . . . 0.57 111.928 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -147.06 151.34 36.73 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.382 0.992 . . . . 0.57 111.324 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.5 149.72 20.43 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 124.385 1.053 . . . . 0.57 110.925 -174.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -24.93 66.63 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 113.946 1.091 . . . . 1.2 113.946 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -74.3 -11.77 60.36 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 118.048 -0.977 . . . . 0.57 109.143 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 130.26 35.33 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.575 1.079 . . . . 1.2 109.316 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.69 13.57 6.94 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.689 -1.148 . . . . 0.57 111.516 173.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -174.43 172.8 3.09 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 121.542 1.973 . . . . 0.57 108.966 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 t -81.95 132.36 35.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 118.93 -1.108 . . . . 0.57 110.804 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.55 11.48 19.44 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.938 0.79 . . . . 0.57 111.529 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.85 -56.63 2.36 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 118.132 -0.937 . . . . 1.2 109.686 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 p -98.04 -12.06 22.29 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 117.081 -1.438 . . . . 0.57 111.206 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.48 -38.3 3.21 Favored Glycine 0 C--N 1.356 1.693 0 CA-C-N 121.319 1.872 . . . . 0.57 112.37 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.9 158.76 3.56 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 118.457 1.129 . . . . 0.57 113.108 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -86.23 174.45 9.09 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.98 -0.688 . . . . 0.91 110.228 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 5' ' ' TRP . 5.6 mtpm? -62.15 -53.3 57.28 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.703 -0.48 . . . . 0.57 109.703 -176.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.96 19.48 16.12 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 107.96 -1.126 . . . . 0.57 107.96 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.576 0 N-CA-C 116.501 2.038 . . . . 0.91 116.501 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.221 -0.418 0 N-CA-C 108.593 -0.891 . . . . 0.91 108.593 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -154.84 176.53 12.37 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.142 -0.932 . . . . 0.91 109.543 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -151.27 161.75 42.15 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 118.022 -0.989 . . . . 0.57 110.018 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.15 139.84 40.04 Favored 'General case' 0 CA--C 1.504 -0.811 0 O-C-N 124.141 0.901 . . . . 0.57 111.589 -177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.3 t -77.91 151.16 33.9 Favored 'General case' 0 CA--C 1.506 -0.735 0 C-N-CA 118.929 -1.109 . . . . 0.57 110.753 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.45 30.92 2.38 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 123.617 0.573 . . . . 0.57 110.231 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -141.28 -56.34 0.49 Allowed 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.91 -1.043 . . . . 0.57 109.828 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.9 p -100.93 -1.17 35.21 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.5 1.045 . . . . 0.57 111.616 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 20.62 10.46 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.794 1.634 . . . . 0.57 112.076 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 13' ' ' ASN . 3.3 tm? -96.13 141.78 29.09 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.051 0.841 . . . . 0.57 108.779 -175.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.548 ' N ' HD13 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -85.82 116.23 23.94 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 117.655 -1.164 . . . . 0.57 110.535 -176.578 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -113.34 152.05 30.43 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 119.734 1.152 . . . . 0.57 111.129 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.42 151.85 35.91 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.053 0.846 . . . . 0.57 108.825 -175.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -20.59 59.11 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 114.327 1.232 . . . . 1.2 114.327 173.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -8.69 59.75 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 118.24 -0.886 . . . . 0.57 108.622 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.47 109.31 13.71 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.611 -1.996 . . . . 1.2 105.611 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -60.26 -23.43 64.1 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-O 117.781 -1.104 . . . . 0.57 109.502 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -149.59 161.82 41.4 Favored 'General case' 0 CA--C 1.497 -1.063 0 C-N-CA 118.862 -1.135 . . . . 0.57 109.961 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 t -59.47 131.77 51.96 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 119.094 -1.043 . . . . 0.57 109.8 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -89.04 10.11 22.84 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.146 0.884 . . . . 0.57 112.371 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.5 -56.22 2.41 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 117.564 -1.208 . . . . 1.2 109.419 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 26' ' ' ALA . 8.2 p -94.85 -14.61 24.43 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.105 -1.426 . . . . 0.57 111.323 175.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.74 -38.04 3.27 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-N 121.218 1.826 . . . . 0.57 111.883 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . . . -53.29 149.7 7.04 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 118.553 1.177 . . . . 0.57 113.066 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.62 156.23 35.11 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 119.637 -0.825 . . . . 0.91 110.88 -177.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -60.52 -21.67 62.74 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.414 -0.803 . . . . 0.57 111.92 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.3 17.92 21.34 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.965 -1.017 . . . . 0.57 110.756 177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.355 0.827 0 CA-C-O 117.528 -1.225 . . . . 0.91 113.907 178.307 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.221 -0.426 0 N-CA-C 109.159 -0.682 . . . . 0.91 109.159 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.6 173.77 14.78 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.18 -0.914 . . . . 0.91 109.325 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -145.71 165.78 27.78 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.381 -0.818 . . . . 0.57 110.105 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 11' ' ' CYS . 11.5 tp -106.91 127.54 53.52 Favored 'General case' 0 CA--C 1.504 -0.797 0 O-C-N 124.659 1.224 . . . . 0.57 109.584 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.6 t -67.95 149.27 49.97 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.147 1.166 . . . . 0.57 114.147 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.29 28.3 3.73 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 117.917 0.326 . . . . 0.57 110.979 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.61 -64.5 0.49 Allowed 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.871 -0.788 . . . . 0.57 108.871 -175.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.8 p -92.51 -2.53 56.16 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 120.015 -0.674 . . . . 0.57 111.879 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' HA ' HD11 ' A' ' 6' ' ' LEU . 0.7 OUTLIER 68.33 22.84 7.86 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 119.054 0.843 . . . . 0.57 112.109 175.2 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 ' CZ ' ' A' ' 23' ' ' ARG . 1.3 tp -106.63 145.61 31.73 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.846 0.748 . . . . 0.57 109.429 -176.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.61 161.55 30.63 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 118.396 -0.812 . . . . 0.57 111.748 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -154.83 148.11 24.96 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 120.253 -0.579 . . . . 0.57 110.945 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.56 149.37 25.73 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.174 0.922 . . . . 0.57 110.806 -175.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -61.41 -31.07 70.98 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 119.439 -0.904 . . . . 1.2 112.613 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -68.78 -18.52 64.21 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 119.329 -0.948 . . . . 0.57 112.039 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.09 104.04 2.91 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 107.549 -1.278 . . . . 1.2 107.549 -175.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -27.54 13.72 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 113.494 0.924 . . . . 0.57 113.494 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -144.61 -179.59 6.66 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 106.671 -1.603 . . . . 0.57 106.671 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -79.53 147.25 32.24 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 119.267 -0.973 . . . . 0.57 112.651 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -92.88 20.96 6.05 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.859 0.754 . . . . 0.57 112.52 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' CZ ' HD13 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -130.77 -56.27 1.06 Allowed 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 117.697 -1.145 . . . . 1.2 108.985 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.6 p -105.23 -1.17 25.66 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.795 1.18 . . . . 0.57 112.537 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.88 24.28 57.59 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-N 121.24 1.836 . . . . 0.57 114.786 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.9 144.46 26.21 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.567 1.684 . . . . 0.57 109.364 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.89 157.11 25.63 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 120.047 -0.661 . . . . 0.91 109.824 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -66.16 -51.52 57.09 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 120.14 -0.624 . . . . 0.57 109.807 -172.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.33 24.76 9.81 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.003 -1.11 . . . . 0.57 108.003 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 . . . . . 0 C--N 1.353 0.724 0 N-CA-C 114.696 1.369 . . . . 0.91 114.696 -174.516 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.505 -0.753 0 N-CA-C 108.134 -1.062 . . . . 0.91 108.134 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.87 178.52 0.17 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.385 -0.825 . . . . 0.91 111.694 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.8 p-90 -135.89 166.12 24.05 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.905 -1.045 . . . . 0.57 110.533 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mp -114.59 127.95 56.06 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.52 1.137 . . . . 0.57 110.895 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 t -57.75 152.62 15.23 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 118.721 -1.192 . . . . 0.57 110.635 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -95.74 25.74 4.44 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.483 0.489 . . . . 0.57 111.014 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.69 -59.24 0.67 Allowed 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 108.676 -0.861 . . . . 0.57 108.676 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.86 -1.28 37.86 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-O 118.247 -0.882 . . . . 0.57 112.379 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t 63.5 18.75 11.28 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 120.137 1.335 . . . . 0.57 113.495 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.571 HD22 ' HB2' ' A' ' 23' ' ' ARG . 4.3 tp -83.42 123.25 29.5 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 106.809 -1.552 . . . . 0.57 106.809 -176.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.02 144.53 56.67 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 118.092 -0.956 . . . . 0.57 111.451 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.414 HD21 HD23 ' A' ' 12' ' ' LEU . 60.9 m-80 -148.04 134.46 19.64 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.547 -0.739 . . . . 0.57 111.375 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.88 145.91 1.84 Allowed 'General case' 0 C--N 1.354 0.768 0 O-C-N 123.991 0.807 . . . . 0.57 112.142 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -30.85 70.72 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.951 -0.7 . . . . 1.2 110.919 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.88 -34.89 4.12 Favored 'General case' 0 C--O 1.221 -0.429 0 O-C-N 123.574 0.546 . . . . 0.57 110.77 174.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -72.15 163.01 28.66 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 120.138 -0.625 . . . . 1.2 109.726 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.63 -32.18 6.53 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 117.071 -1.442 . . . . 0.57 111.102 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -145.01 153.56 41.61 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 121.265 1.848 . . . . 0.57 107.159 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 t -62.29 128.98 38.62 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 119.037 -1.065 . . . . 0.57 110.535 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -78.2 -20.01 52.71 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 120.146 -0.622 . . . . 0.57 110.566 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -74.23 -63.69 1.18 Allowed 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.127 -0.94 . . . . 1.2 110.942 -179.471 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.25 -19.32 30.13 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.555 -1.212 . . . . 0.57 109.526 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.14 -12.15 70.31 Favored Glycine 0 C--N 1.356 1.668 0 CA-C-N 120.169 1.349 . . . . 0.57 111.863 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.92 158.62 21.52 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 118.147 0.974 . . . . 0.57 109.845 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -69.11 152.94 44.54 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 120.082 -0.647 . . . . 0.91 110.863 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.24 60.46 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 118.039 -0.982 . . . . 0.57 111.703 174.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.46 27.27 9.71 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.846 0.748 . . . . 0.57 110.467 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 CA--C 1.507 -0.698 0 N-CA-C 107.932 -1.136 . . . . 0.91 107.932 -178.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--O 1.22 -0.472 0 N-CA-C 108.813 -0.81 . . . . 0.91 108.813 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.18 178.12 10.56 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.945 -1.026 . . . . 0.91 108.354 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -149.19 168.02 24.4 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.164 -1.398 . . . . 0.57 109.729 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -118.98 145.13 46.06 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.668 1.23 . . . . 0.57 110.942 -176.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.497 ' O ' HD12 ' A' ' 6' ' ' LEU . 49.8 t -82.95 145.02 29.61 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 118.655 -1.218 . . . . 0.57 111.57 -174.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.87 27.51 2.08 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 118.692 0.678 . . . . 0.57 111.018 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.31 -59.56 0.82 Allowed 'General case' 0 C--N 1.35 0.611 0 N-CA-C 108.833 -0.803 . . . . 0.57 108.833 -176.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 p -102.37 2.07 36.26 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-O 118.556 -0.735 . . . . 0.57 112.217 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.87 18.71 10.66 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.682 1.128 . . . . 0.57 112.99 175.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.603 HD22 ' HB2' ' A' ' 23' ' ' ARG . 6.9 tp -94.05 144.76 25.19 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 118.685 0.675 . . . . 0.57 110.052 -176.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.67 164.03 26.28 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 123.831 0.707 . . . . 0.57 111.766 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -161.0 145.68 13.85 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 120.29 -0.564 . . . . 0.57 111.735 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.68 148.24 7.54 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 123.86 0.725 . . . . 0.57 112.701 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -30.35 70.01 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 112.917 0.71 . . . . 1.2 112.917 174.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -19.08 62.96 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 118.278 -0.868 . . . . 0.57 111.195 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 168.23 18.84 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 119.277 -0.969 . . . . 1.2 110.719 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -136.17 25.67 3.25 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.053 0.846 . . . . 0.57 110.053 176.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -174.69 139.22 0.53 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 119.891 1.223 . . . . 0.57 109.647 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 t -65.32 134.95 54.68 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 118.514 -1.274 . . . . 0.57 110.169 -173.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -90.42 8.56 33.07 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.957 0.799 . . . . 0.57 112.258 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.603 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.4 ttp180 -110.39 -55.72 2.43 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 117.996 -1.002 . . . . 1.2 108.937 179.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.8 p -100.92 -10.71 20.37 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-O 116.947 -1.502 . . . . 0.57 111.839 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.33 -35.33 4.07 Favored Glycine 0 C--N 1.357 1.728 0 CA-C-N 121.766 2.075 . . . . 0.57 112.418 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.58 150.74 4.77 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 118.161 0.98 . . . . 0.57 112.643 -174.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -78.76 150.33 32.44 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 119.713 -0.795 . . . . 0.91 111.455 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -20.87 63.66 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.974 -1.012 . . . . 0.57 112.147 174.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.65 24.68 11.85 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.859 0.754 . . . . 0.57 109.797 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 CA--C 1.509 -0.634 0 O-C-N 121.544 -0.723 . . . . 0.91 109.251 -178.424 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.221 -0.396 0 N-CA-C 110.234 -0.284 . . . . 0.91 110.234 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.22 175.5 12.11 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.278 -0.868 . . . . 0.91 109.702 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -147.01 166.36 27.06 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 117.398 -1.287 . . . . 0.57 109.846 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -114.43 132.59 56.2 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.436 1.085 . . . . 0.57 110.55 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.6 t -61.96 153.24 29.93 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 119.022 -1.071 . . . . 0.57 111.624 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.72 22.68 6.95 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 123.36 0.413 . . . . 0.57 110.499 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.19 -59.97 0.77 Allowed 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.884 -0.784 . . . . 0.57 108.884 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -100.25 -1.89 35.21 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 118.344 -0.836 . . . . 0.57 112.68 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 63.89 18.34 11.11 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.393 1.451 . . . . 0.57 114.066 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 23' ' ' ARG . 8.4 tp -81.06 134.46 35.67 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.591 -1.263 . . . . 0.57 107.591 -178.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.39 159.82 30.8 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.616 -0.707 . . . . 0.57 110.555 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -160.41 148.71 16.6 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 119.662 -0.815 . . . . 0.57 111.587 176.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.91 143.89 46.41 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.032 0.832 . . . . 0.57 110.539 -175.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -30.74 62.09 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 112.808 0.67 . . . . 1.2 112.808 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -23.86 62.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 118.573 -1.251 . . . . 0.57 110.273 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 137.38 32.48 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 118.272 -0.871 . . . . 1.2 110.002 -174.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -103.42 24.82 10.43 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-N 118.687 0.676 . . . . 0.57 110.539 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -178.58 163.63 1.53 Allowed 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 119.67 1.123 . . . . 0.57 109.851 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.6 t -89.45 130.19 35.83 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 119.577 -0.849 . . . . 0.57 111.249 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -81.21 -15.13 56.54 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 118.879 -0.582 . . . . 0.57 111.414 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.563 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -77.81 -63.37 1.4 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 118.413 0.551 . . . . 1.2 110.761 -179.263 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 p -88.33 -18.52 28.3 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 117.759 -1.115 . . . . 0.57 108.367 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.99 -10.76 74.16 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-O 117.802 -1.554 . . . . 0.57 110.862 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.92 158.21 21.67 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.662 1.731 . . . . 0.57 110.344 -173.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.53 175.21 4.25 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 119.586 -0.845 . . . . 0.91 110.439 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -61.82 -52.58 63.58 Favored 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 109.005 -0.739 . . . . 0.57 109.005 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.12 24.05 9.97 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.681 -0.859 . . . . 0.57 108.681 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.35 0.601 0 CA-C-O 118.078 -0.963 . . . . 0.91 111.83 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 CA--C 1.512 -0.495 0 N-CA-C 107.97 -1.122 . . . . 0.91 107.97 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.48 179.93 8.78 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.69 -1.226 . . . . 0.91 107.69 -175.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.49 ' CH2' ' HG2' ' A' ' 28' ' ' LYS . 61.3 p-90 -150.99 161.86 41.94 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 117.715 -1.136 . . . . 0.57 109.558 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -105.41 136.49 44.87 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 124.172 0.92 . . . . 0.57 110.897 -175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.1 t -70.82 153.06 43.08 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 119.5 -0.88 . . . . 0.57 111.654 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.87 30.39 3.04 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.462 0.476 . . . . 0.57 109.876 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -140.22 -52.58 0.5 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-O 118.406 -0.807 . . . . 0.57 109.477 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.3 3.53 17.12 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 117.644 -1.17 . . . . 0.57 112.794 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.9 m 64.62 19.34 11.79 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.865 1.666 . . . . 0.57 113.387 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -83.94 129.96 34.91 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 109.129 -0.693 . . . . 0.57 109.129 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -69.12 112.95 6.06 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 117.09 -1.433 . . . . 0.57 112.549 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -113.87 150.73 33.2 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.844 1.202 . . . . 0.57 111.567 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.95 152.09 10.73 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.092 0.87 . . . . 0.57 111.768 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 83.3 0.71 Allowed 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 120.496 -0.482 . . . . 1.2 111.119 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt 177.34 -49.16 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.621 -0.881 . . . . 0.57 108.621 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.67 112.54 0.47 Allowed 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.927 0.767 . . . . 1.2 109.24 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.71 -23.02 49.64 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 118.09 -0.957 . . . . 0.57 110.742 174.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -146.97 156.35 42.98 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 119.119 -1.032 . . . . 0.57 109.737 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.59 129.14 40.5 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 119.548 -0.861 . . . . 0.57 110.987 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -78.82 -20.67 49.13 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.837 -0.745 . . . . 0.57 111.603 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -66.11 0.78 Allowed 'General case' 0 C--N 1.348 0.511 0 CA-C-O 118.406 -0.807 . . . . 1.2 111.986 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.6 p -83.28 -19.8 35.63 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.71 -1.138 . . . . 0.57 109.161 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.02 -14.0 66.32 Favored Glycine 0 C--N 1.356 1.667 0 CA-C-O 118.108 -1.384 . . . . 0.57 111.544 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.91 160.63 19.35 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 119.064 1.432 . . . . 0.57 111.015 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.56 171.85 1.03 Allowed 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 119.632 -0.827 . . . . 0.91 111.403 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HG2' ' CH2' ' A' ' 5' ' ' TRP . 3.9 mtpt -60.1 -53.71 54.54 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.183 -1.043 . . . . 0.57 108.183 -177.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.39 24.11 9.3 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.209 0.943 . . . . 0.57 109.435 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.9 t0 . . . . . 0 C--N 1.352 0.711 0 CA-C-N 118.576 0.625 . . . . 0.91 110.91 -178.285 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 109.576 -0.527 . . . . 0.91 109.576 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -150.78 177.33 10.2 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.93 -1.033 . . . . 0.91 109.436 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -145.14 159.92 42.24 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 118.001 -1.0 . . . . 0.57 109.522 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mp -102.33 122.99 45.34 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 108.402 -0.962 . . . . 0.57 108.402 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -56.51 151.24 13.79 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 119.187 0.903 . . . . 0.57 112.344 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.71 29.28 2.37 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 120.779 -0.368 . . . . 0.57 110.913 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -140.16 -51.08 0.48 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-O 118.373 -0.822 . . . . 0.57 109.434 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.8 p -112.47 1.17 15.81 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.799 -1.096 . . . . 0.57 112.969 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 66.73 17.71 10.61 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.066 1.757 . . . . 0.57 113.297 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -82.44 131.66 35.22 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 118.604 0.638 . . . . 0.57 109.606 -177.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.92 113.34 5.56 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.566 -1.207 . . . . 0.57 111.273 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -116.01 142.71 46.44 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.905 1.229 . . . . 0.57 111.578 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.23 140.5 1.53 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.113 0.883 . . . . 0.57 113.316 177.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -64.46 -27.13 68.78 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 114.015 1.117 . . . . 1.2 114.015 174.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -69.58 -6.82 33.57 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.626 -1.178 . . . . 0.57 111.504 176.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.58 166.72 11.89 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 119.535 1.061 . . . . 1.2 108.847 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -131.8 24.24 4.66 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 124.093 0.871 . . . . 0.57 109.345 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -173.35 130.35 0.46 Allowed 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 119.836 1.198 . . . . 0.57 109.451 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.0 t -60.69 129.07 39.7 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 118.769 -1.173 . . . . 0.57 111.18 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -79.86 -20.18 46.55 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 118.847 0.748 . . . . 0.57 112.045 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -73.84 -65.18 0.86 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-O 118.39 -0.814 . . . . 1.2 111.138 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -85.14 -18.51 33.97 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.669 -1.157 . . . . 0.57 109.105 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.25 -12.63 68.65 Favored Glycine 0 C--N 1.356 1.652 0 CA-C-N 120.108 1.322 . . . . 0.57 111.366 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.07 166.39 16.71 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 119.276 1.538 . . . . 0.57 111.23 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.0 174.31 6.39 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.461 -0.896 . . . . 0.91 110.496 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -60.72 -54.22 47.86 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 109.422 -0.585 . . . . 0.57 109.422 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.82 21.1 13.03 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.036 -1.098 . . . . 0.57 108.036 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t70 . . . . . 0 C--N 1.35 0.625 0 N-CA-C 115.607 1.706 . . . . 0.91 115.607 -175.116 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 CA--C 1.511 -0.522 0 N-CA-C 108.809 -0.811 . . . . 0.91 108.809 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.61 176.01 12.56 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 118.586 -0.721 . . . . 0.91 109.45 -174.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -144.06 161.2 39.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 117.952 -1.023 . . . . 0.57 109.484 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -104.53 119.85 39.92 Favored 'General case' 0 CA--C 1.502 -0.897 0 O-C-N 125.032 1.458 . . . . 0.57 109.215 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -53.62 146.47 13.13 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.121 0.785 . . . . 0.57 113.121 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.58 28.68 2.22 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.307 -0.871 . . . . 0.57 111.268 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -139.02 -59.68 0.59 Allowed 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.904 -0.776 . . . . 0.57 108.904 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -98.28 -5.03 33.88 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 119.214 0.916 . . . . 0.57 112.251 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t 65.05 20.71 12.13 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 119.85 1.205 . . . . 0.57 112.412 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.491 HD13 ' CZ ' ' A' ' 23' ' ' ARG . 2.2 tp -95.87 141.14 29.66 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 108.864 -0.791 . . . . 0.57 108.864 -178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.61 154.1 42.53 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 124.479 1.112 . . . . 0.57 110.885 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.03 138.34 16.65 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 120.137 -0.625 . . . . 0.57 110.63 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.9 138.09 25.15 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.007 0.817 . . . . 0.57 110.717 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -55.36 -27.8 49.75 Favored 'General case' 0 CA--C 1.5 -0.952 0 O-C-N 121.182 -0.948 . . . . 1.2 113.411 174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -22.16 66.7 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.426 -0.91 . . . . 0.57 110.427 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.94 131.34 42.83 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 108.594 -0.891 . . . . 1.2 108.594 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.99 15.43 3.4 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.153 -0.927 . . . . 0.57 111.805 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.68 178.68 0.98 Allowed 'General case' 0 CA--C 1.497 -1.079 0 CA-C-N 120.629 1.559 . . . . 0.57 109.452 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.6 t -83.57 132.51 34.91 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 118.397 0.544 . . . . 0.57 111.165 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -89.27 14.66 10.51 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.833 -1.167 . . . . 0.57 112.865 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.491 ' CZ ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -119.58 -57.7 1.96 Allowed 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 117.983 -1.008 . . . . 1.2 109.331 179.499 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.84 -11.93 21.3 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.977 1.262 . . . . 0.57 112.3 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.85 -29.11 6.04 Favored Glycine 0 C--N 1.359 1.853 0 CA-C-N 120.937 1.699 . . . . 0.57 112.581 -176.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 152.65 30.81 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 119.573 1.686 . . . . 0.57 112.089 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -91.23 152.84 20.36 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 119.975 -0.69 . . . . 0.91 111.266 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -19.71 54.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 118.499 -0.762 . . . . 0.57 111.686 175.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.18 23.43 5.76 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.572 -1.204 . . . . 0.57 109.839 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 t0 . . . . . 0 C--N 1.358 0.957 0 CA-C-N 119.834 1.197 . . . . 0.91 109.395 -177.285 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 108.923 -0.769 . . . . 0.91 108.923 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -148.54 175.57 11.05 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.557 1.143 . . . . 0.91 109.638 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -148.39 167.1 26.14 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.378 1.471 . . . . 0.57 110.154 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -119.94 134.28 55.29 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.515 1.126 . . . . 0.57 109.981 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.2 t -64.97 138.16 58.19 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.498 0.719 . . . . 0.57 109.936 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -84.1 19.85 1.71 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.086 0.955 . . . . 0.57 112.583 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.12 -64.59 0.81 Allowed 'General case' 0 C--N 1.341 0.232 0 C-N-CA 124.33 1.052 . . . . 0.57 109.244 -176.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.4 p -95.45 -5.39 43.14 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.408 1.083 . . . . 0.57 113.502 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.8 m 65.14 17.29 10.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.029 1.331 . . . . 0.57 113.329 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.661 HD22 ' HB2' ' A' ' 23' ' ' ARG . 6.9 tp -78.22 135.02 37.51 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 124.208 1.003 . . . . 0.57 109.795 -179.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.13 154.48 41.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.621 0.369 . . . . 0.57 111.939 171.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -156.62 150.42 24.81 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.027 1.331 . . . . 0.57 110.486 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.19 147.31 35.87 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.893 0.877 . . . . 0.57 111.322 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -31.64 72.47 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.691 -0.631 . . . . 1.2 112.235 175.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -61.18 -30.17 70.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.603 0.761 . . . . 0.57 112.113 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 161.09 2.84 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.761 0.71 . . . . 1.2 110.967 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.58 -45.42 4.43 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.911 0.884 . . . . 0.57 110.594 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -147.61 160.95 42.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.267 1.027 . . . . 0.57 108.888 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 t -64.2 123.66 19.67 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.648 -0.871 . . . . 0.57 108.648 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -76.38 -15.62 59.91 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 119.048 -0.501 . . . . 0.57 111.703 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.661 ' HB2' HD22 ' A' ' 12' ' ' LEU . 2.2 ttm180 -80.72 -67.94 0.73 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 123.687 0.795 . . . . 1.2 110.285 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.8 p -83.43 -20.57 33.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.516 0.726 . . . . 0.57 112.694 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.58 -18.08 55.99 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 118.778 -1.012 . . . . 0.57 112.908 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.24 147.09 42.76 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 118.427 1.114 . . . . 0.57 110.331 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -71.24 152.56 43.19 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 110.209 -0.293 . . . . 0.91 110.209 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -56.71 -21.35 27.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.615 0.766 . . . . 0.57 112.663 171.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.54 20.15 18.91 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.554 1.142 . . . . 0.57 112.579 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 CA--C 1.501 -0.914 0 CA-C-O 114.979 -2.439 . . . . 0.91 110.625 -175.627 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.398 0 N-CA-C 109.642 -0.503 . . . . 0.91 109.642 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -151.35 172.94 15.12 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.893 -1.051 . . . . 0.91 109.348 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.4 ' CH2' ' HB3' ' A' ' 28' ' ' LYS . 52.6 p-90 -143.66 162.07 36.9 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.745 -1.121 . . . . 0.57 110.081 178.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -103.33 132.57 49.48 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 118.143 -0.932 . . . . 0.57 109.982 -175.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.7 t -68.4 152.65 45.12 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 119.477 1.035 . . . . 0.57 111.754 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.87 27.4 3.14 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.258 0.349 . . . . 0.57 110.751 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -140.31 -51.94 0.49 Allowed 'General case' 0 C--N 1.351 0.658 0 CA-C-O 118.083 -0.961 . . . . 0.57 110.458 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.04 1.01 20.25 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.936 -1.031 . . . . 0.57 111.754 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.1 18.54 11.51 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 121.108 1.776 . . . . 0.57 113.024 177.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 13' ' ' ASN . 3.1 tm? -87.6 141.3 28.72 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 118.698 0.681 . . . . 0.57 110.377 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.48 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -78.95 120.82 24.09 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 117.353 -1.308 . . . . 0.57 110.163 -176.381 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -119.87 150.05 41.09 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 119.736 1.153 . . . . 0.57 112.793 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.36 148.09 7.15 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.982 1.426 . . . . 0.57 110.699 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -27.54 68.95 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 119.64 -0.824 . . . . 1.2 112.864 176.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -76.27 -5.88 48.93 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.572 -1.204 . . . . 0.57 112.311 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.74 135.29 38.0 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 120.502 1.501 . . . . 1.2 108.121 -174.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.02 -24.44 40.78 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 118.156 -0.926 . . . . 0.57 109.794 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -150.93 165.87 32.36 Favored 'General case' 0 CA--C 1.496 -1.098 0 C-N-CA 118.976 -1.09 . . . . 0.57 109.209 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t -60.13 126.24 26.77 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 119.252 -0.979 . . . . 0.57 110.394 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.91 -5.09 52.79 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 118.771 0.714 . . . . 0.57 111.916 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -64.77 1.01 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.142 -0.932 . . . . 1.2 110.479 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.0 p -84.56 -17.66 38.13 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.532 1.06 . . . . 0.57 108.431 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.62 -28.07 12.29 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 119.8 1.182 . . . . 0.57 110.788 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.91 154.81 41.47 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 118.233 1.016 . . . . 0.57 111.888 -173.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.05 156.35 38.79 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 119.141 -1.024 . . . . 0.91 111.098 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HB3' ' CH2' ' A' ' 5' ' ' TRP . 8.7 ptpt -57.11 -24.5 54.58 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 117.945 -1.026 . . . . 0.57 111.117 175.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.8 15.41 22.72 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.858 0.754 . . . . 0.57 110.923 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 CA--C 1.505 -0.766 0 CA-C-N 118.93 0.786 . . . . 0.91 108.887 178.41 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 CA--C 1.512 -0.512 0 N-CA-C 109.097 -0.705 . . . . 0.91 109.097 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -154.15 178.2 10.25 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 118.941 -0.552 . . . . 0.91 110.011 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 -145.31 163.24 35.12 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 118.128 -0.939 . . . . 0.57 109.529 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.51 126.96 54.09 Favored 'General case' 0 CA--C 1.5 -0.948 0 O-C-N 124.806 1.316 . . . . 0.57 108.491 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.0 t -61.44 152.53 29.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 118.897 -1.121 . . . . 0.57 112.825 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.93 25.06 4.97 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.066 0.394 . . . . 0.57 111.168 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.81 -58.83 0.67 Allowed 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 108.584 -0.895 . . . . 0.57 108.584 -175.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.8 p -102.29 1.02 35.21 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.396 -0.811 . . . . 0.57 112.612 174.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.14 18.47 11.27 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.146 1.339 . . . . 0.57 113.036 176.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.598 HD22 ' HB2' ' A' ' 23' ' ' ARG . 7.5 tp -86.83 139.38 30.74 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 109.256 -0.646 . . . . 0.57 109.256 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.76 150.28 44.58 Favored 'General case' 0 CA--C 1.511 -0.543 0 O-C-N 123.929 0.768 . . . . 0.57 111.394 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -152.27 141.27 21.2 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.944 -0.55 . . . . 0.57 110.784 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.89 149.21 5.08 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 123.896 0.747 . . . . 0.57 111.725 -177.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.25 71.36 Favored 'General case' 0 CA--C 1.503 -0.851 0 O-C-N 121.482 -0.762 . . . . 1.2 111.745 176.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -64.63 -25.39 67.94 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 119.717 -0.793 . . . . 0.57 110.824 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.56 156.73 7.82 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.912 -0.715 . . . . 1.2 109.712 -177.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.5 -7.42 14.33 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 117.962 -1.018 . . . . 0.57 112.0 173.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 152.13 4.56 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 120.451 1.478 . . . . 0.57 108.266 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 t -61.33 133.67 56.11 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 119.196 -1.002 . . . . 0.57 110.419 -173.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.59 10.67 22.16 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.889 0.768 . . . . 0.57 111.133 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.598 ' HB2' HD22 ' A' ' 12' ' ' LEU . 3.2 ttp180 -113.85 -55.62 2.49 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 118.132 -0.937 . . . . 1.2 109.302 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.8 p -100.5 -9.45 22.07 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 117.184 -1.389 . . . . 0.57 111.531 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 -33.24 4.57 Favored Glycine 0 C--N 1.358 1.76 0 CA-C-N 121.631 2.014 . . . . 0.57 112.936 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.05 151.55 22.02 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 118.866 1.333 . . . . 0.57 111.463 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -93.92 154.57 17.63 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 119.899 -0.72 . . . . 0.91 111.382 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -22.56 40.88 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 118.028 -0.987 . . . . 0.57 112.59 175.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.64 17.26 24.18 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 118.512 -0.756 . . . . 0.57 109.871 177.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.355 0.814 0 CA-C-N 119.515 1.052 . . . . 0.91 110.856 178.836 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 CA--C 1.514 -0.408 0 N-CA-C 108.551 -0.907 . . . . 0.91 108.551 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.4 p30 -152.9 177.7 10.47 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 118.199 -0.905 . . . . 0.91 109.859 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -143.16 165.9 26.15 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 117.625 -1.179 . . . . 0.57 109.248 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -112.88 127.66 56.25 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.51 1.131 . . . . 0.57 108.938 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.8 t -59.42 152.89 20.42 Favored 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 118.984 -1.087 . . . . 0.57 111.695 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.55 20.11 10.06 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 118.976 -0.535 . . . . 0.57 110.946 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.77 -61.24 0.9 Allowed 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.557 -0.905 . . . . 0.57 108.557 -177.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 p -99.16 0.74 44.04 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 118.117 -0.944 . . . . 0.57 112.789 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 m 63.28 16.42 9.44 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 120.183 1.356 . . . . 0.57 113.574 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 23' ' ' ARG . 4.9 tp -81.76 131.03 35.25 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 108.111 -1.07 . . . . 0.57 108.111 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.06 149.71 48.43 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 118.248 -0.882 . . . . 0.57 111.758 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -152.96 138.61 17.83 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.085 -0.646 . . . . 0.57 112.501 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -55.6 147.96 17.0 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 120.559 -0.456 . . . . 0.57 111.375 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.5 -28.86 69.6 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 119.314 -0.954 . . . . 1.2 111.829 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -59.12 -24.89 63.38 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 119.423 -0.911 . . . . 0.57 110.608 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -65.74 161.49 20.66 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 120.178 -0.609 . . . . 1.2 109.381 -176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.64 3.55 13.09 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 117.841 -1.076 . . . . 0.57 112.212 173.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -178.38 157.95 1.08 Allowed 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 120.455 1.48 . . . . 0.57 107.659 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 t -66.8 127.14 31.32 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 118.753 -1.179 . . . . 0.57 110.605 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -79.88 -8.07 59.09 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 118.445 -0.788 . . . . 0.57 111.587 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.7 ttm180 -90.49 -63.05 1.33 Allowed 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.985 0.811 . . . . 1.2 109.917 -178.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.9 -16.92 34.54 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.698 -1.144 . . . . 0.57 109.588 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.02 -19.77 47.04 Favored Glycine 0 C--N 1.357 1.733 0 CA-C-N 120.217 1.371 . . . . 0.57 111.174 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 152.54 37.16 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 118.941 1.37 . . . . 0.57 110.159 -173.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -75.6 154.7 36.54 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.342 -0.943 . . . . 0.91 112.318 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -21.63 27.96 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-O 117.986 -1.007 . . . . 0.57 112.748 174.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.7 20.27 18.96 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.236 0.925 . . . . 0.57 109.937 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.352 0.698 0 CA-C-N 119.198 0.908 . . . . 0.91 111.575 -179.89 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 CA--C 1.511 -0.556 0 CA-C-O 121.171 0.51 . . . . 0.91 110.145 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -151.96 179.71 8.22 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 119.069 -0.491 . . . . 0.91 110.147 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -146.79 164.86 31.44 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 118.517 -0.754 . . . . 0.57 109.861 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.593 HD11 ' HA ' ' A' ' 11' ' ' CYS . 10.1 tp -107.19 128.13 54.14 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 125.121 1.513 . . . . 0.57 110.434 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.65 144.07 53.02 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 119.597 -0.841 . . . . 0.57 112.77 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -95.79 33.18 1.71 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 122.096 -0.377 . . . . 0.57 111.401 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -140.65 -59.92 0.51 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 118.896 -0.573 . . . . 0.57 109.512 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.1 p -96.69 -1.38 46.71 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 118.863 -0.589 . . . . 0.57 111.511 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.593 ' HA ' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 68.48 13.37 8.96 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 119.195 0.907 . . . . 0.57 110.952 178.03 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 13' ' ' ASN . 1.0 OUTLIER -96.75 135.74 38.26 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 118.786 0.721 . . . . 0.57 109.57 -174.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.431 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.6 t30 -79.81 150.78 30.6 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 118.792 -0.623 . . . . 0.57 112.16 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -146.98 146.51 30.11 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 119.971 -0.692 . . . . 0.57 111.685 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.25 149.55 7.1 Favored 'General case' 0 CA--C 1.51 -0.559 0 O-C-N 124.694 1.246 . . . . 0.57 111.595 -178.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -25.15 67.67 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 112.763 0.653 . . . . 1.2 112.763 177.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -69.06 -19.96 64.1 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 123.982 0.801 . . . . 0.57 112.446 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.92 126.99 31.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 119.581 -0.848 . . . . 1.2 108.753 -176.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -86.38 6.33 30.63 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 117.72 -1.133 . . . . 0.57 109.568 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -177.15 149.54 0.69 Allowed 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 119.79 1.177 . . . . 0.57 109.315 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.56 127.89 31.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.352 -0.939 . . . . 0.57 111.589 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -86.6 6.5 30.6 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.686 0.675 . . . . 0.57 111.768 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.37 -52.98 2.71 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 118.07 -0.967 . . . . 1.2 111.349 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p -98.45 -15.82 19.47 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 117.673 -1.156 . . . . 0.57 111.058 176.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.63 -32.93 5.46 Favored Glycine 0 C--N 1.357 1.696 0 CA-C-N 120.115 1.325 . . . . 0.57 111.792 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.38 148.45 37.17 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 117.622 0.711 . . . . 0.57 112.172 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.92 155.54 39.77 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 112.767 0.654 . . . . 0.91 112.767 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -18.86 45.62 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 117.908 -1.044 . . . . 0.57 111.946 176.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.49 25.24 11.45 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.472 -0.775 . . . . 0.57 110.204 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--N 1.354 0.764 0 CA-C-O 117.125 -1.417 . . . . 0.91 107.479 -179.539 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 109.047 -0.723 . . . . 0.91 109.047 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -149.97 177.73 9.59 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.283 -0.865 . . . . 0.91 109.557 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -145.63 163.65 34.18 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 117.802 -1.094 . . . . 0.57 109.681 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.5 125.1 50.85 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.43 1.081 . . . . 0.57 108.961 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.55 152.03 15.72 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.22 -0.992 . . . . 0.57 112.476 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.7 24.91 4.32 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 119.384 -0.341 . . . . 0.57 110.886 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -137.81 -53.43 0.65 Allowed 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.645 -0.693 . . . . 0.57 109.225 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.4 p -108.58 0.44 20.77 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 117.822 -1.085 . . . . 0.57 113.109 172.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t 64.39 17.84 11.0 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.036 1.743 . . . . 0.57 113.702 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.655 HD22 ' HB2' ' A' ' 23' ' ' ARG . 13.9 tp -79.47 139.51 37.61 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.093 -1.077 . . . . 0.57 108.093 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.14 146.74 41.1 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 118.225 -0.893 . . . . 0.57 109.927 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -150.21 145.35 26.2 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 119.03 0.832 . . . . 0.57 111.472 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.9 145.63 19.56 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 123.855 0.722 . . . . 0.57 111.398 -176.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -62.06 -27.76 69.13 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 113.644 0.979 . . . . 1.2 113.644 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -22.19 64.29 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 119.089 -1.044 . . . . 0.57 111.526 175.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 166.96 15.51 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 119.209 -0.996 . . . . 1.2 109.999 -174.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -136.56 25.24 3.15 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.083 0.865 . . . . 0.57 111.314 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -173.41 129.88 0.45 Allowed 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 118.448 -1.301 . . . . 0.57 109.256 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.37 130.76 44.46 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 117.998 -1.481 . . . . 0.57 110.843 -173.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -79.12 -18.41 53.31 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.979 -0.688 . . . . 0.57 111.466 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.655 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.3 ttm180 -74.41 -63.1 1.31 Allowed 'General case' 0 C--N 1.35 0.612 0 CA-C-O 119.186 -0.435 . . . . 1.2 110.648 -178.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.9 p -88.23 -19.24 27.09 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.829 -1.081 . . . . 0.57 108.593 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.0 -6.64 82.63 Favored Glycine 0 C--N 1.357 1.719 0 CA-C-O 117.653 -1.637 . . . . 0.57 110.948 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.02 164.48 16.45 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 119.937 1.868 . . . . 0.57 110.613 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.0 173.4 8.46 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.524 -0.87 . . . . 0.91 109.919 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -60.88 -53.13 61.03 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.045 -0.724 . . . . 0.57 109.045 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.67 22.09 12.44 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.635 -0.876 . . . . 0.57 108.635 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.35 0.626 0 CA-C-O 117.967 -1.016 . . . . 0.91 113.661 -176.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 CA--C 1.511 -0.532 0 N-CA-C 109.587 -0.523 . . . . 0.91 109.587 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -152.59 176.93 11.19 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 118.427 -0.797 . . . . 0.91 109.683 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -143.54 162.21 36.45 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 117.896 -1.05 . . . . 0.57 109.432 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.22 127.46 54.26 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 124.674 1.234 . . . . 0.57 108.937 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.6 t -61.43 151.44 32.55 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 118.894 -1.122 . . . . 0.57 112.363 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -94.23 24.97 4.04 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.979 0.809 . . . . 0.57 111.926 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 -60.7 0.72 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.415 -0.957 . . . . 0.57 108.415 -175.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -99.42 -0.46 40.84 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 118.35 -0.833 . . . . 0.57 112.321 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.33 18.37 11.27 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.066 1.303 . . . . 0.57 113.042 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.593 HD22 ' HB2' ' A' ' 23' ' ' ARG . 8.3 tp -85.45 138.41 32.25 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 109.046 -0.724 . . . . 0.57 109.046 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.86 150.3 42.78 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 123.997 0.81 . . . . 0.57 111.261 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -153.64 143.09 21.65 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.783 -0.627 . . . . 0.57 111.035 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.07 151.57 6.81 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 123.834 0.709 . . . . 0.57 111.199 -175.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -68.64 -24.88 64.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 113.446 0.906 . . . . 1.2 113.446 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -70.17 -18.25 63.19 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.357 -0.609 . . . . 0.57 109.357 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.95 174.3 3.11 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.265 -0.974 . . . . 1.2 109.531 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.76 -50.14 2.79 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 117.236 -1.364 . . . . 0.57 110.058 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -138.19 164.69 28.55 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-N 120.794 1.633 . . . . 0.57 107.905 -174.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.83 132.82 48.84 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 118.975 -1.09 . . . . 0.57 111.087 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -89.48 7.82 34.14 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.552 -0.737 . . . . 0.57 111.86 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.593 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.4 ttp180 -108.86 -55.5 2.39 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 118.141 -0.933 . . . . 1.2 109.554 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p -100.11 -11.3 20.62 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-O 117.095 -1.431 . . . . 0.57 111.575 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.56 -33.0 4.98 Favored Glycine 0 C--N 1.359 1.815 0 CA-C-N 121.622 2.01 . . . . 0.57 112.678 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.03 150.22 17.47 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 118.46 1.13 . . . . 0.57 112.028 -176.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -80.46 155.16 27.2 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 119.49 -0.884 . . . . 0.91 110.273 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -19.53 63.29 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 118.198 -0.906 . . . . 0.57 112.123 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.33 27.53 9.41 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.622 -0.704 . . . . 0.57 109.526 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.353 0.745 0 N-CA-C 108.187 -1.042 . . . . 0.91 108.187 -179.102 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.222 -0.389 0 N-CA-C 107.891 -1.151 . . . . 0.91 107.891 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -152.59 177.06 11.06 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 121.085 -1.009 . . . . 0.91 110.46 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -144.72 164.28 31.48 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 117.989 -1.005 . . . . 0.57 109.359 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -109.52 132.33 54.24 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 124.682 1.239 . . . . 0.57 109.256 -176.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -65.58 153.78 40.59 Favored 'General case' 0 CA--C 1.506 -0.743 0 C-N-CA 118.998 -1.081 . . . . 0.57 112.149 -177.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.95 23.77 6.09 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 123.338 0.399 . . . . 0.57 110.738 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -138.28 -56.79 0.65 Allowed 'General case' 0 C--N 1.351 0.655 0 N-CA-C 108.735 -0.839 . . . . 0.57 108.735 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.8 -1.37 29.9 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-O 118.062 -0.97 . . . . 0.57 112.972 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.92 16.78 10.72 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.837 1.653 . . . . 0.57 113.339 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' A' ' 23' ' ' ARG . 11.1 tp -82.39 142.32 32.07 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.782 -1.192 . . . . 0.57 107.782 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.37 151.82 36.5 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 118.37 -0.824 . . . . 0.57 110.38 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -152.76 147.82 26.51 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 119.148 0.885 . . . . 0.57 111.898 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.31 146.11 35.52 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.542 0.526 . . . . 0.57 110.807 -173.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -56.06 -28.92 59.52 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 114.465 1.283 . . . . 1.2 114.465 173.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -21.47 61.15 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 120.62 -0.432 . . . . 0.57 110.602 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 160.5 10.44 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 119.793 -0.763 . . . . 1.2 109.326 -175.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.76 -30.17 10.08 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 117.691 -1.147 . . . . 0.57 111.593 173.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -156.49 160.05 39.18 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 120.523 1.511 . . . . 0.57 107.871 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 t -63.75 128.58 36.47 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 118.439 -1.304 . . . . 0.57 109.929 -173.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -79.85 -3.98 50.23 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 118.394 -0.813 . . . . 0.57 111.491 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.6 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -93.88 -62.21 1.39 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 118.867 0.758 . . . . 1.2 109.821 -177.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.2 p -89.1 -17.47 29.2 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.519 -1.229 . . . . 0.57 108.432 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.59 -16.3 59.45 Favored Glycine 0 C--N 1.356 1.682 0 CA-C-N 120.134 1.333 . . . . 0.57 111.063 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.69 152.53 33.68 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 118.973 1.387 . . . . 0.57 110.257 -172.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.55 153.95 38.83 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.396 -0.922 . . . . 0.91 110.223 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -58.17 -21.16 46.06 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 118.389 -0.815 . . . . 0.57 111.589 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.21 23.94 8.55 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.294 -0.86 . . . . 0.57 109.296 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--N 1.354 0.799 0 CA-C-N 119.933 1.242 . . . . 0.91 109.691 -178.526 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--O 1.221 -0.416 0 N-CA-C 108.416 -0.957 . . . . 0.91 108.416 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.46 -178.75 7.57 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.969 -1.015 . . . . 0.91 109.282 -174.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.403 ' CH2' ' HB3' ' A' ' 28' ' ' LYS . 56.0 p-90 -155.16 166.0 34.95 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.526 -1.226 . . . . 0.57 109.595 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -112.04 132.64 54.69 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 124.534 1.146 . . . . 0.57 109.699 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.57 151.2 45.28 Favored 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 118.534 -1.266 . . . . 0.57 111.099 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -97.32 31.43 2.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.465 0.478 . . . . 0.57 110.821 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.93 -58.92 0.47 Allowed 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.625 -0.702 . . . . 0.57 109.416 -178.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.98 -0.58 44.48 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-O 117.74 -1.124 . . . . 0.57 111.874 173.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.4 m 65.46 18.43 11.29 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.425 1.466 . . . . 0.57 112.136 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.89 136.35 33.13 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 109.164 -0.68 . . . . 0.57 109.164 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -77.92 115.01 17.34 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 117.206 -1.378 . . . . 0.57 111.851 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -115.25 151.37 34.62 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.876 1.217 . . . . 0.57 109.052 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.27 157.12 20.31 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 123.753 0.658 . . . . 0.57 110.642 -176.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -65.87 -33.92 76.94 Favored 'General case' 0 CA--C 1.499 -1.015 0 O-C-N 121.367 -0.833 . . . . 1.2 111.888 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -57.44 -23.07 47.45 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 119.069 -1.052 . . . . 0.57 112.06 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.86 109.37 8.27 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 119.145 0.884 . . . . 1.2 108.719 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -34.86 61.83 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.478 0.581 . . . . 0.57 111.26 174.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -135.94 177.88 7.49 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 117.992 -1.004 . . . . 0.57 110.505 -174.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 t -76.47 134.61 39.47 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 118.277 -0.868 . . . . 0.57 112.274 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.05 8.07 31.68 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 118.957 0.799 . . . . 0.57 112.966 178.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -113.05 -55.36 2.53 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 117.965 -1.017 . . . . 1.2 109.594 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 p -97.64 -12.37 22.51 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 117.137 -1.411 . . . . 0.57 111.339 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 -37.46 3.38 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-N 121.234 1.834 . . . . 0.57 112.272 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.62 148.23 12.89 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 118.053 0.926 . . . . 0.57 112.439 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.44 154.03 42.32 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 119.62 -0.832 . . . . 0.91 112.377 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB3' ' CH2' ' A' ' 5' ' ' TRP . 3.0 ptpt -59.73 -21.19 60.33 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 118.161 -0.923 . . . . 0.57 112.039 175.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.93 25.24 12.02 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 118.138 -0.934 . . . . 0.57 109.52 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 41.5 t0 . . . . . 0 C--N 1.354 0.791 0 CA-C-N 119.831 1.196 . . . . 0.91 108.001 -178.312 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 CA--C 1.512 -0.513 0 N-CA-C 109.882 -0.414 . . . . 0.91 109.882 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -151.08 176.76 10.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.922 -0.561 . . . . 0.91 109.681 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -142.16 163.01 34.02 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 117.815 -1.088 . . . . 0.57 109.875 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.38 130.22 49.07 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 125.092 1.495 . . . . 0.57 109.151 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.87 151.2 47.53 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 118.94 -1.104 . . . . 0.57 112.428 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -94.76 25.69 3.93 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.27 0.487 . . . . 0.57 111.375 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -135.99 -58.37 0.76 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 109.018 -0.734 . . . . 0.57 109.018 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 p -104.08 1.1 30.52 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.999 -1.001 . . . . 0.57 112.349 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 64.13 19.04 11.6 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.222 1.374 . . . . 0.57 113.288 175.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 23' ' ' ARG . 9.1 tp -87.93 147.91 24.84 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 109.29 -0.633 . . . . 0.57 109.29 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.49 142.24 39.22 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 124.15 0.906 . . . . 0.57 111.285 176.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -141.4 146.99 37.27 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.509 0.595 . . . . 0.57 111.102 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.98 147.55 19.47 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.273 0.983 . . . . 0.57 110.087 -174.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -62.35 -25.83 68.12 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 119.422 1.01 . . . . 1.2 112.245 175.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -20.76 62.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.993 -0.683 . . . . 0.57 109.636 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.86 145.91 55.38 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.625 -0.83 . . . . 1.2 108.851 -173.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.95 -25.71 16.42 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 117.569 -1.205 . . . . 0.57 110.637 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -149.36 159.61 44.13 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-N 120.322 1.419 . . . . 0.57 108.144 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 t -62.44 133.24 54.74 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 118.844 -1.142 . . . . 0.57 109.674 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -88.14 8.01 28.95 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 118.623 -0.703 . . . . 0.57 111.956 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.599 ' HB2' HD22 ' A' ' 12' ' ' LEU . 3.0 ttp180 -112.96 -56.75 2.38 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-O 118.2 -0.905 . . . . 1.2 109.449 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.1 p -98.68 -11.05 22.37 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.245 -1.359 . . . . 0.57 111.668 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.31 -34.72 4.04 Favored Glycine 0 C--N 1.358 1.79 0 CA-C-N 121.446 1.93 . . . . 0.57 112.618 -177.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.28 157.14 5.08 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 119.194 1.497 . . . . 0.57 112.676 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -91.61 174.25 7.46 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 120.766 -0.374 . . . . 0.91 110.491 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -60.59 -52.17 66.32 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.904 -0.776 . . . . 0.57 108.904 -175.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 26.49 8.43 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.225 -1.028 . . . . 0.57 108.225 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.354 0.789 0 CA-C-O 117.213 -1.375 . . . . 0.91 108.903 -177.31 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -103.94 95.86 6.29 Favored 'General case' 0 C--N 1.351 0.653 0 N-CA-C 108.767 -0.827 . . . . 0.57 108.767 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -86.5 59.96 5.94 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 119.05 0.841 . . . . 0.57 110.732 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 70.59 61.22 0.21 Allowed 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 119.821 -0.752 . . . . 0.91 110.024 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -151.29 177.36 10.32 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 121.461 -0.774 . . . . 0.91 110.195 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.9 p-90 -148.51 168.37 22.92 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 117.037 -1.458 . . . . 0.57 109.777 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 7' ' ' CYS . 1.4 pp -119.71 134.47 55.22 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 124.89 1.369 . . . . 0.57 111.147 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.52 ' O ' HD12 ' A' ' 6' ' ' LEU . 38.0 t -65.57 147.76 52.88 Favored 'General case' 0 CA--C 1.504 -0.819 0 C-N-CA 118.933 -1.107 . . . . 0.57 111.078 -175.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -90.91 23.18 3.27 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 119.087 -0.483 . . . . 0.57 111.58 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 -62.1 0.77 Allowed 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.225 -1.028 . . . . 0.57 108.225 -177.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.3 p -95.53 -1.01 51.45 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 118.52 -0.753 . . . . 0.57 112.697 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.2 m 68.1 15.38 9.42 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 119.683 1.128 . . . . 0.57 113.994 178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.665 HD22 ' HB2' ' A' ' 23' ' ' ARG . 7.4 tp -84.19 141.48 31.0 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-O 118.604 -0.712 . . . . 0.57 109.59 -175.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.46 160.45 30.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 118.932 -0.556 . . . . 0.57 112.214 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -161.31 153.53 19.96 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.786 -0.766 . . . . 0.57 111.592 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.26 148.77 43.83 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.016 0.822 . . . . 0.57 110.898 -174.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -31.71 72.58 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 112.748 0.647 . . . . 1.2 112.748 175.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -65.2 -24.47 67.37 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 119.511 -0.875 . . . . 0.57 111.528 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 170.75 0.56 Allowed 'General case' 0 C--N 1.349 0.548 0 C-N-CA 119.705 -0.798 . . . . 1.2 110.042 -176.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.98 -37.81 3.78 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 117.19 -1.386 . . . . 0.57 110.358 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -154.39 162.03 41.39 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-N 121.379 1.899 . . . . 0.57 107.113 -176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 23.7 t -63.97 127.13 30.05 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 118.634 -1.226 . . . . 0.57 110.343 -174.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -79.23 -11.03 59.95 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 118.508 -0.758 . . . . 0.57 111.184 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.665 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.7 ttm180 -85.19 -64.53 1.14 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 118.772 0.715 . . . . 1.2 110.194 -178.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 p -86.5 -17.33 34.44 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 117.643 -1.17 . . . . 0.57 109.811 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.56 -17.53 58.32 Favored Glycine 0 C--N 1.357 1.721 0 CA-C-N 120.184 1.357 . . . . 0.57 111.398 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.77 154.7 29.74 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 119.124 1.462 . . . . 0.57 110.634 -173.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -78.19 153.15 32.25 Favored 'General case' 0 CA--C 1.505 -0.786 0 C-N-CA 119.568 -0.853 . . . . 0.91 111.285 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 ptpt -59.58 -20.78 58.18 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 118.014 -0.993 . . . . 0.57 110.762 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.83 24.86 12.05 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 119.02 0.827 . . . . 0.57 109.78 178.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 58.01 -96.57 0.07 Allowed 'General case' 0 C--N 1.352 0.68 0 CA-C-N 119.28 0.946 . . . . 0.91 110.032 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.597 0 CA-C-N 121.259 1.845 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.96 99.21 8.97 Favored 'General case' 0 C--N 1.35 0.603 0 N-CA-C 108.478 -0.934 . . . . 0.57 108.478 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -89.67 55.34 3.16 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 119.366 0.985 . . . . 0.57 110.553 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 71.73 65.12 0.14 Allowed 'General case' 0 C--N 1.352 0.714 0 N-CA-C 109.642 -0.503 . . . . 0.91 109.642 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -153.01 178.53 9.6 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-O 118.007 -0.996 . . . . 0.91 109.142 -177.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.401 ' CD2' ' HG2' ' A' ' 28' ' ' LYS . 57.6 p-90 -149.65 165.02 33.59 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 117.749 -1.119 . . . . 0.57 109.63 175.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.29 134.78 51.36 Favored 'General case' 0 CA--C 1.501 -0.91 0 O-C-N 124.454 1.096 . . . . 0.57 109.814 -176.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -72.31 152.76 41.91 Favored 'General case' 0 CA--C 1.506 -0.718 0 C-N-CA 118.92 -1.112 . . . . 0.57 112.087 -177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.44 29.18 3.35 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 123.654 0.596 . . . . 0.57 110.71 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -139.31 -59.51 0.58 Allowed 'General case' 0 C--N 1.35 0.589 0 N-CA-C 108.87 -0.789 . . . . 0.57 108.87 -176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.0 p -101.49 -0.78 34.53 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.855 -1.069 . . . . 0.57 111.743 175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.0 m 63.47 22.43 13.22 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 120.461 1.482 . . . . 0.57 111.983 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 13' ' ' ASN . 0.9 OUTLIER -95.82 136.91 35.62 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 109.064 -0.717 . . . . 0.57 109.064 -177.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.607 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.4 t30 -70.2 149.07 47.88 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 117.972 -1.013 . . . . 0.57 111.928 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -147.06 151.34 36.73 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 119.382 0.992 . . . . 0.57 111.324 178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.5 149.72 20.43 Favored 'General case' 0 C--N 1.351 0.631 0 O-C-N 124.385 1.053 . . . . 0.57 110.925 -174.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -24.93 66.63 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 113.946 1.091 . . . . 1.2 113.946 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -74.3 -11.77 60.36 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 118.048 -0.977 . . . . 0.57 109.143 177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.02 130.26 35.33 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.575 1.079 . . . . 1.2 109.316 -175.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.69 13.57 6.94 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.689 -1.148 . . . . 0.57 111.516 173.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -174.43 172.8 3.09 Favored 'General case' 0 CA--C 1.499 -0.989 0 CA-C-N 121.542 1.973 . . . . 0.57 108.966 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.8 t -81.95 132.36 35.26 Favored 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 118.93 -1.108 . . . . 0.57 110.804 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.55 11.48 19.44 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 118.938 0.79 . . . . 0.57 111.529 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.85 -56.63 2.36 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 118.132 -0.937 . . . . 1.2 109.686 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 p -98.04 -12.06 22.29 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 117.081 -1.438 . . . . 0.57 111.206 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.48 -38.3 3.21 Favored Glycine 0 C--N 1.356 1.693 0 CA-C-N 121.319 1.872 . . . . 0.57 112.37 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.9 158.76 3.56 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 118.457 1.129 . . . . 0.57 113.108 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -86.23 174.45 9.09 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 119.98 -0.688 . . . . 0.91 110.228 -177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 5' ' ' TRP . 5.6 mtpm? -62.15 -53.3 57.28 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.703 -0.48 . . . . 0.57 109.703 -176.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.96 19.48 16.12 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 107.96 -1.126 . . . . 0.57 107.96 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 59.39 -37.64 0.07 Allowed 'General case' 0 C--N 1.349 0.576 0 N-CA-C 116.501 2.038 . . . . 0.91 116.501 -175.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.626 0 CA-C-N 123.81 3.005 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.483 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -100.85 100.36 11.0 Favored 'General case' 0 CA--C 1.505 -0.754 0 N-CA-C 107.437 -1.32 . . . . 0.57 107.437 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -91.0 50.94 1.86 Allowed 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 119.895 -0.722 . . . . 0.57 109.215 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -160.06 61.02 0.35 Allowed 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.179 0.9 . . . . 0.91 108.593 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -154.84 176.53 12.37 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 118.142 -0.932 . . . . 0.91 109.543 -174.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 61.2 p-90 -151.27 161.75 42.15 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 118.022 -0.989 . . . . 0.57 110.018 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.15 139.84 40.04 Favored 'General case' 0 CA--C 1.504 -0.811 0 O-C-N 124.141 0.901 . . . . 0.57 111.589 -177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.3 t -77.91 151.16 33.9 Favored 'General case' 0 CA--C 1.506 -0.735 0 C-N-CA 118.929 -1.109 . . . . 0.57 110.753 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.45 30.92 2.38 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 123.617 0.573 . . . . 0.57 110.231 179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -141.28 -56.34 0.49 Allowed 'General case' 0 C--N 1.351 0.631 0 CA-C-O 117.91 -1.043 . . . . 0.57 109.828 -176.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.9 p -100.93 -1.17 35.21 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 119.5 1.045 . . . . 0.57 111.616 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 20.62 10.46 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.794 1.634 . . . . 0.57 112.076 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 13' ' ' ASN . 3.3 tm? -96.13 141.78 29.09 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 119.051 0.841 . . . . 0.57 108.779 -175.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.548 ' N ' HD13 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -85.82 116.23 23.94 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-O 117.655 -1.164 . . . . 0.57 110.535 -176.578 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -113.34 152.05 30.43 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 119.734 1.152 . . . . 0.57 111.129 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.42 151.85 35.91 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 124.053 0.846 . . . . 0.57 108.825 -175.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.13 -20.59 59.11 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 114.327 1.232 . . . . 1.2 114.327 173.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -8.69 59.75 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-O 118.24 -0.886 . . . . 0.57 108.622 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.47 109.31 13.71 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 105.611 -1.996 . . . . 1.2 105.611 -175.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -60.26 -23.43 64.1 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-O 117.781 -1.104 . . . . 0.57 109.502 174.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -149.59 161.82 41.4 Favored 'General case' 0 CA--C 1.497 -1.063 0 C-N-CA 118.862 -1.135 . . . . 0.57 109.961 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 t -59.47 131.77 51.96 Favored 'General case' 0 CA--C 1.507 -0.692 0 C-N-CA 119.094 -1.043 . . . . 0.57 109.8 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -89.04 10.11 22.84 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 119.146 0.884 . . . . 0.57 112.371 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.5 -56.22 2.41 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 117.564 -1.208 . . . . 1.2 109.419 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 26' ' ' ALA . 8.2 p -94.85 -14.61 24.43 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.105 -1.426 . . . . 0.57 111.323 175.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.74 -38.04 3.27 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-N 121.218 1.826 . . . . 0.57 111.883 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . . . -53.29 149.7 7.04 Favored 'General case' 0 CA--C 1.51 -0.594 0 CA-C-N 118.553 1.177 . . . . 0.57 113.066 -178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.62 156.23 35.11 Favored 'General case' 0 CA--C 1.509 -0.598 0 C-N-CA 119.637 -0.825 . . . . 0.91 110.88 -177.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -60.52 -21.67 62.74 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 118.414 -0.803 . . . . 0.57 111.92 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.3 17.92 21.34 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 117.965 -1.017 . . . . 0.57 110.756 177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -128.76 -10.76 4.94 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 117.528 -1.225 . . . . 0.91 113.907 178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.75 0 CA-C-N 123.117 2.69 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.467 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -95.65 50.76 1.23 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 109.052 -0.721 . . . . 0.57 109.052 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.18 62.77 6.82 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 108.622 -0.881 . . . . 0.57 108.622 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 68.24 64.38 0.35 Allowed 'General case' 0 C--N 1.349 0.583 0 N-CA-C 109.159 -0.682 . . . . 0.91 109.159 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -152.6 173.77 14.78 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 118.18 -0.914 . . . . 0.91 109.325 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -145.71 165.78 27.78 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.381 -0.818 . . . . 0.57 110.105 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 11' ' ' CYS . 11.5 tp -106.91 127.54 53.52 Favored 'General case' 0 CA--C 1.504 -0.797 0 O-C-N 124.659 1.224 . . . . 0.57 109.584 -176.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 32.6 t -67.95 149.27 49.97 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 114.147 1.166 . . . . 0.57 114.147 178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.29 28.3 3.73 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 117.917 0.326 . . . . 0.57 110.979 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.61 -64.5 0.49 Allowed 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.871 -0.788 . . . . 0.57 108.871 -175.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.8 p -92.51 -2.53 56.16 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 120.015 -0.674 . . . . 0.57 111.879 177.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.493 ' HA ' HD11 ' A' ' 6' ' ' LEU . 0.7 OUTLIER 68.33 22.84 7.86 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 119.054 0.843 . . . . 0.57 112.109 175.2 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 ' CZ ' ' A' ' 23' ' ' ARG . 1.3 tp -106.63 145.61 31.73 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.846 0.748 . . . . 0.57 109.429 -176.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.61 161.55 30.63 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 118.396 -0.812 . . . . 0.57 111.748 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -154.83 148.11 24.96 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 120.253 -0.579 . . . . 0.57 110.945 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.56 149.37 25.73 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.174 0.922 . . . . 0.57 110.806 -175.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -61.41 -31.07 70.98 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 119.439 -0.904 . . . . 1.2 112.613 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -68.78 -18.52 64.21 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 119.329 -0.948 . . . . 0.57 112.039 173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.09 104.04 2.91 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 107.549 -1.278 . . . . 1.2 107.549 -175.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.98 -27.54 13.72 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 113.494 0.924 . . . . 0.57 113.494 174.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -144.61 -179.59 6.66 Favored 'General case' 0 CA--C 1.5 -0.944 0 N-CA-C 106.671 -1.603 . . . . 0.57 106.671 -176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -79.53 147.25 32.24 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 119.267 -0.973 . . . . 0.57 112.651 -177.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -92.88 20.96 6.05 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-N 118.859 0.754 . . . . 0.57 112.52 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' CZ ' HD13 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -130.77 -56.27 1.06 Allowed 'General case' 0 CA--C 1.51 -0.565 0 CA-C-O 117.697 -1.145 . . . . 1.2 108.985 -179.799 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.6 p -105.23 -1.17 25.66 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 119.795 1.18 . . . . 0.57 112.537 175.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 58.88 24.28 57.59 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-N 121.24 1.836 . . . . 0.57 114.786 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.9 144.46 26.21 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 119.567 1.684 . . . . 0.57 109.364 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.89 157.11 25.63 Favored 'General case' 0 C--N 1.35 0.625 0 C-N-CA 120.047 -0.661 . . . . 0.91 109.824 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -66.16 -51.52 57.09 Favored 'General case' 0 CA--C 1.506 -0.728 0 C-N-CA 120.14 -0.624 . . . . 0.57 109.807 -172.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.33 24.76 9.81 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.003 -1.11 . . . . 0.57 108.003 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 58.45 -1.83 0.09 Allowed 'General case' 0 C--N 1.353 0.724 0 N-CA-C 114.696 1.369 . . . . 0.91 114.696 -174.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.633 0 CA-C-N 123.693 2.952 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.408 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.51 108.12 18.9 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 108.545 -0.909 . . . . 0.57 108.545 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -92.04 45.98 1.24 Allowed 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 109.274 -0.639 . . . . 0.57 109.274 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.31 60.0 0.9 Allowed 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 108.134 -1.062 . . . . 0.91 108.134 -177.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -59.87 178.52 0.17 Allowed 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.385 -0.825 . . . . 0.91 111.694 -177.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.8 p-90 -135.89 166.12 24.05 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.905 -1.045 . . . . 0.57 110.533 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mp -114.59 127.95 56.06 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.52 1.137 . . . . 0.57 110.895 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 t -57.75 152.62 15.23 Favored 'General case' 0 CA--C 1.506 -0.714 0 C-N-CA 118.721 -1.192 . . . . 0.57 110.635 -177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -95.74 25.74 4.44 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.483 0.489 . . . . 0.57 111.014 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.69 -59.24 0.67 Allowed 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 108.676 -0.861 . . . . 0.57 108.676 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 p -99.86 -1.28 37.86 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-O 118.247 -0.882 . . . . 0.57 112.379 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.4 t 63.5 18.75 11.28 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 120.137 1.335 . . . . 0.57 113.495 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.571 HD22 ' HB2' ' A' ' 23' ' ' ARG . 4.3 tp -83.42 123.25 29.5 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 106.809 -1.552 . . . . 0.57 106.809 -176.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.02 144.53 56.67 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 118.092 -0.956 . . . . 0.57 111.451 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.414 HD21 HD23 ' A' ' 12' ' ' LEU . 60.9 m-80 -148.04 134.46 19.64 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 118.547 -0.739 . . . . 0.57 111.375 178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.88 145.91 1.84 Allowed 'General case' 0 C--N 1.354 0.768 0 O-C-N 123.991 0.807 . . . . 0.57 112.142 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -30.85 70.72 Favored 'General case' 0 CA--C 1.505 -0.759 0 C-N-CA 119.951 -0.7 . . . . 1.2 110.919 -178.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.88 -34.89 4.12 Favored 'General case' 0 C--O 1.221 -0.429 0 O-C-N 123.574 0.546 . . . . 0.57 110.77 174.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 tpp180 -72.15 163.01 28.66 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 120.138 -0.625 . . . . 1.2 109.726 -176.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.63 -32.18 6.53 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-O 117.071 -1.442 . . . . 0.57 111.102 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -145.01 153.56 41.61 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 121.265 1.848 . . . . 0.57 107.159 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 t -62.29 128.98 38.62 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 119.037 -1.065 . . . . 0.57 110.535 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -78.2 -20.01 52.71 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 120.146 -0.622 . . . . 0.57 110.566 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.571 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -74.23 -63.69 1.18 Allowed 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.127 -0.94 . . . . 1.2 110.942 -179.471 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -86.25 -19.32 30.13 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.555 -1.212 . . . . 0.57 109.526 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.14 -12.15 70.31 Favored Glycine 0 C--N 1.356 1.668 0 CA-C-N 120.169 1.349 . . . . 0.57 111.863 -177.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.92 158.62 21.52 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-N 118.147 0.974 . . . . 0.57 109.845 -173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -69.11 152.94 44.54 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 120.082 -0.647 . . . . 0.91 110.863 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -21.24 60.46 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 118.039 -0.982 . . . . 0.57 111.703 174.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.46 27.27 9.71 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 118.846 0.748 . . . . 0.57 110.467 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -129.18 142.13 50.96 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 107.932 -1.136 . . . . 0.91 107.932 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.435 0 CA-C-N 119.548 1.067 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -92.7 56.68 2.72 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 108.055 -1.091 . . . . 0.57 108.055 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -89.82 35.45 0.84 Allowed 'General case' 0 C--N 1.351 0.651 0 N-CA-C 109.064 -0.717 . . . . 0.57 109.064 -177.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -168.45 56.65 0.06 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-N 119.88 1.218 . . . . 0.91 108.813 -176.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -155.18 178.12 10.56 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-O 117.945 -1.026 . . . . 0.91 108.354 -175.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 65.9 p-90 -149.19 168.02 24.4 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 117.164 -1.398 . . . . 0.57 109.729 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -118.98 145.13 46.06 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.668 1.23 . . . . 0.57 110.942 -176.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.497 ' O ' HD12 ' A' ' 6' ' ' LEU . 49.8 t -82.95 145.02 29.61 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 118.655 -1.218 . . . . 0.57 111.57 -174.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.87 27.51 2.08 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 118.692 0.678 . . . . 0.57 111.018 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.31 -59.56 0.82 Allowed 'General case' 0 C--N 1.35 0.611 0 N-CA-C 108.833 -0.803 . . . . 0.57 108.833 -176.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 p -102.37 2.07 36.26 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-O 118.556 -0.735 . . . . 0.57 112.217 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 66.87 18.71 10.66 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-N 119.682 1.128 . . . . 0.57 112.99 175.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.603 HD22 ' HB2' ' A' ' 23' ' ' ARG . 6.9 tp -94.05 144.76 25.19 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 118.685 0.675 . . . . 0.57 110.052 -176.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -76.67 164.03 26.28 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 123.831 0.707 . . . . 0.57 111.766 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -161.0 145.68 13.85 Favored 'General case' 0 C--N 1.351 0.668 0 C-N-CA 120.29 -0.564 . . . . 0.57 111.735 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.68 148.24 7.54 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 123.86 0.725 . . . . 0.57 112.701 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -30.35 70.01 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 112.917 0.71 . . . . 1.2 112.917 174.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -19.08 62.96 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 118.278 -0.868 . . . . 0.57 111.195 175.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.09 168.23 18.84 Favored 'General case' 0 CA--C 1.508 -0.65 0 C-N-CA 119.277 -0.969 . . . . 1.2 110.719 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.0 mt -136.17 25.67 3.25 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.053 0.846 . . . . 0.57 110.053 176.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -174.69 139.22 0.53 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 119.891 1.223 . . . . 0.57 109.647 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 t -65.32 134.95 54.68 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 118.514 -1.274 . . . . 0.57 110.169 -173.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -90.42 8.56 33.07 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 118.957 0.799 . . . . 0.57 112.258 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.603 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.4 ttp180 -110.39 -55.72 2.43 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 117.996 -1.002 . . . . 1.2 108.937 179.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.8 p -100.92 -10.71 20.37 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-O 116.947 -1.502 . . . . 0.57 111.839 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.33 -35.33 4.07 Favored Glycine 0 C--N 1.357 1.728 0 CA-C-N 121.766 2.075 . . . . 0.57 112.418 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.58 150.74 4.77 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 118.161 0.98 . . . . 0.57 112.643 -174.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -78.76 150.33 32.44 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 119.713 -0.795 . . . . 0.91 111.455 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -20.87 63.66 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-O 117.974 -1.012 . . . . 0.57 112.147 174.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.65 24.68 11.85 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 118.859 0.754 . . . . 0.57 109.797 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -75.44 98.74 3.98 Favored 'General case' 0 CA--C 1.509 -0.634 0 O-C-N 121.544 -0.723 . . . . 0.91 109.251 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.505 0 CA-C-N 119.288 0.949 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.424 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -113.14 -168.49 1.33 Allowed 'General case' 0 C--N 1.352 0.701 0 N-CA-C 108.511 -0.922 . . . . 0.57 108.511 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -79.99 58.55 2.96 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-N 117.873 0.306 . . . . 0.57 110.39 -178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 72.0 64.51 0.14 Allowed 'General case' 0 C--N 1.349 0.576 0 C-N-CA 120.577 -0.449 . . . . 0.91 110.234 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -151.22 175.5 12.11 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 118.278 -0.868 . . . . 0.91 109.702 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 60.6 p-90 -147.01 166.36 27.06 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 117.398 -1.287 . . . . 0.57 109.846 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -114.43 132.59 56.2 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.436 1.085 . . . . 0.57 110.55 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.6 t -61.96 153.24 29.93 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 119.022 -1.071 . . . . 0.57 111.624 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.72 22.68 6.95 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 123.36 0.413 . . . . 0.57 110.499 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.19 -59.97 0.77 Allowed 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.884 -0.784 . . . . 0.57 108.884 -176.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -100.25 -1.89 35.21 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-O 118.344 -0.836 . . . . 0.57 112.68 175.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 63.89 18.34 11.11 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 120.393 1.451 . . . . 0.57 114.066 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 23' ' ' ARG . 8.4 tp -81.06 134.46 35.67 Favored 'General case' 0 CA--C 1.513 -0.45 0 N-CA-C 107.591 -1.263 . . . . 0.57 107.591 -178.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.39 159.82 30.8 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 118.616 -0.707 . . . . 0.57 110.555 178.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -160.41 148.71 16.6 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 119.662 -0.815 . . . . 0.57 111.587 176.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.91 143.89 46.41 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.032 0.832 . . . . 0.57 110.539 -175.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -30.74 62.09 Favored 'General case' 0 CA--C 1.499 -1.015 0 N-CA-C 112.808 0.67 . . . . 1.2 112.808 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -23.86 62.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 118.573 -1.251 . . . . 0.57 110.273 178.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 137.38 32.48 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 118.272 -0.871 . . . . 1.2 110.002 -174.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.7 mt -103.42 24.82 10.43 Favored 'General case' 0 C--N 1.359 0.98 0 CA-C-N 118.687 0.676 . . . . 0.57 110.539 179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -178.58 163.63 1.53 Allowed 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 119.67 1.123 . . . . 0.57 109.851 -177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.6 t -89.45 130.19 35.83 Favored 'General case' 0 CA--C 1.503 -0.846 0 C-N-CA 119.577 -0.849 . . . . 0.57 111.249 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -81.21 -15.13 56.54 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-O 118.879 -0.582 . . . . 0.57 111.414 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.563 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -77.81 -63.37 1.4 Allowed 'General case' 0 C--N 1.35 0.599 0 CA-C-N 118.413 0.551 . . . . 1.2 110.761 -179.263 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.4 p -88.33 -18.52 28.3 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 117.759 -1.115 . . . . 0.57 108.367 -178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.99 -10.76 74.16 Favored Glycine 0 C--N 1.356 1.662 0 CA-C-O 117.802 -1.554 . . . . 0.57 110.862 -178.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.92 158.21 21.67 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 119.662 1.731 . . . . 0.57 110.344 -173.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.53 175.21 4.25 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 119.586 -0.845 . . . . 0.91 110.439 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -61.82 -52.58 63.58 Favored 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 109.005 -0.739 . . . . 0.57 109.005 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.12 24.05 9.97 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 108.681 -0.859 . . . . 0.57 108.681 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 56.96 -86.03 0.02 OUTLIER 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.078 -0.963 . . . . 0.91 111.83 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.546 0 CA-C-N 121.979 2.172 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.415 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.57 93.73 5.76 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 107.767 -1.197 . . . . 0.57 107.767 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -83.45 56.34 3.54 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.968 -1.083 . . . . 0.57 111.959 174.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -167.14 62.33 0.08 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.97 -1.122 . . . . 0.91 107.97 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.48 179.93 8.78 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.69 -1.226 . . . . 0.91 107.69 -175.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.49 ' CH2' ' HG2' ' A' ' 28' ' ' LYS . 61.3 p-90 -150.99 161.86 41.94 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 117.715 -1.136 . . . . 0.57 109.558 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -105.41 136.49 44.87 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 124.172 0.92 . . . . 0.57 110.897 -175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 54.1 t -70.82 153.06 43.08 Favored 'General case' 0 CA--C 1.503 -0.858 0 C-N-CA 119.5 -0.88 . . . . 0.57 111.654 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.87 30.39 3.04 Favored 'General case' 0 C--N 1.352 0.715 0 O-C-N 123.462 0.476 . . . . 0.57 109.876 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 26.5 tptt -140.22 -52.58 0.5 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-O 118.406 -0.807 . . . . 0.57 109.477 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.7 p -112.3 3.53 17.12 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 117.644 -1.17 . . . . 0.57 112.794 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.9 m 64.62 19.34 11.79 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 120.865 1.666 . . . . 0.57 113.387 176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -83.94 129.96 34.91 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 109.129 -0.693 . . . . 0.57 109.129 -177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -69.12 112.95 6.06 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-O 117.09 -1.433 . . . . 0.57 112.549 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 -113.87 150.73 33.2 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.844 1.202 . . . . 0.57 111.567 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.95 152.09 10.73 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.092 0.87 . . . . 0.57 111.768 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.1 83.3 0.71 Allowed 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 120.496 -0.482 . . . . 1.2 111.119 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt 177.34 -49.16 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 108.621 -0.881 . . . . 0.57 108.621 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.67 112.54 0.47 Allowed 'General case' 0 C--N 1.351 0.667 0 O-C-N 123.927 0.767 . . . . 1.2 109.24 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.71 -23.02 49.64 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 118.09 -0.957 . . . . 0.57 110.742 174.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -146.97 156.35 42.98 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 119.119 -1.032 . . . . 0.57 109.737 -178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.59 129.14 40.5 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 119.548 -0.861 . . . . 0.57 110.987 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -78.82 -20.67 49.13 Favored 'General case' 0 C--N 1.35 0.601 0 C-N-CA 119.837 -0.745 . . . . 0.57 111.603 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -66.11 0.78 Allowed 'General case' 0 C--N 1.348 0.511 0 CA-C-O 118.406 -0.807 . . . . 1.2 111.986 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.6 p -83.28 -19.8 35.63 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.71 -1.138 . . . . 0.57 109.161 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.02 -14.0 66.32 Favored Glycine 0 C--N 1.356 1.667 0 CA-C-O 118.108 -1.384 . . . . 0.57 111.544 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.91 160.63 19.35 Favored 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 119.064 1.432 . . . . 0.57 111.015 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.56 171.85 1.03 Allowed 'General case' 0 CA--C 1.51 -0.592 0 C-N-CA 119.632 -0.827 . . . . 0.91 111.403 -178.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HG2' ' CH2' ' A' ' 5' ' ' TRP . 3.9 mtpt -60.1 -53.71 54.54 Favored 'General case' 0 CA--C 1.507 -0.705 0 N-CA-C 108.183 -1.043 . . . . 0.57 108.183 -177.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.39 24.11 9.3 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.209 0.943 . . . . 0.57 109.435 -178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.9 t0 54.97 90.09 0.03 OUTLIER 'General case' 0 C--N 1.352 0.711 0 CA-C-N 118.576 0.625 . . . . 0.91 110.91 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.541 0 O-C-N 119.569 -1.957 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.46 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.87 101.47 11.28 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 107.487 -1.301 . . . . 0.57 107.487 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -91.45 50.21 1.7 Allowed 'General case' 0 CA--C 1.508 -0.667 0 CA-C-N 118.825 0.739 . . . . 0.57 109.433 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -158.7 57.25 0.44 Allowed 'General case' 0 C--N 1.353 0.76 0 C-N-CA 119.763 -0.775 . . . . 0.91 109.576 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -150.78 177.33 10.2 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 117.93 -1.033 . . . . 0.91 109.436 -175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.7 p-90 -145.14 159.92 42.24 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 118.001 -1.0 . . . . 0.57 109.522 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mp -102.33 122.99 45.34 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 108.402 -0.962 . . . . 0.57 108.402 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.5 t -56.51 151.24 13.79 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 119.187 0.903 . . . . 0.57 112.344 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -94.71 29.28 2.37 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 120.779 -0.368 . . . . 0.57 110.913 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -140.16 -51.08 0.48 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-O 118.373 -0.822 . . . . 0.57 109.434 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.8 p -112.47 1.17 15.81 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 117.799 -1.096 . . . . 0.57 112.969 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 66.73 17.71 10.61 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 121.066 1.757 . . . . 0.57 113.297 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -82.44 131.66 35.22 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 118.604 0.638 . . . . 0.57 109.606 -177.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.92 113.34 5.56 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.566 -1.207 . . . . 0.57 111.273 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -116.01 142.71 46.44 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.905 1.229 . . . . 0.57 111.578 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -43.23 140.5 1.53 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.113 0.883 . . . . 0.57 113.316 177.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -64.46 -27.13 68.78 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 114.015 1.117 . . . . 1.2 114.015 174.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -69.58 -6.82 33.57 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.626 -1.178 . . . . 0.57 111.504 176.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.58 166.72 11.89 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 119.535 1.061 . . . . 1.2 108.847 -178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.5 mt -131.8 24.24 4.66 Favored 'General case' 0 CA--C 1.509 -0.615 0 O-C-N 124.093 0.871 . . . . 0.57 109.345 178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -173.35 130.35 0.46 Allowed 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 119.836 1.198 . . . . 0.57 109.451 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 45.0 t -60.69 129.07 39.7 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 118.769 -1.173 . . . . 0.57 111.18 -174.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -79.86 -20.18 46.55 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 118.847 0.748 . . . . 0.57 112.045 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -73.84 -65.18 0.86 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-O 118.39 -0.814 . . . . 1.2 111.138 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 32.0 p -85.14 -18.51 33.97 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 117.669 -1.157 . . . . 0.57 109.105 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.25 -12.63 68.65 Favored Glycine 0 C--N 1.356 1.652 0 CA-C-N 120.108 1.322 . . . . 0.57 111.366 -178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.07 166.39 16.71 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 119.276 1.538 . . . . 0.57 111.23 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.0 174.31 6.39 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.461 -0.896 . . . . 0.91 110.496 -177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -60.72 -54.22 47.86 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 109.422 -0.585 . . . . 0.57 109.422 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.82 21.1 13.03 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 108.036 -1.098 . . . . 0.57 108.036 -178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.1 t70 63.35 -27.8 0.08 Allowed 'General case' 0 C--N 1.35 0.625 0 N-CA-C 115.607 1.706 . . . . 0.91 115.607 -175.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 0.665 0 CA-C-N 123.765 2.984 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.418 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.21 99.54 9.41 Favored 'General case' 0 CA--C 1.511 -0.55 0 N-CA-C 107.942 -1.133 . . . . 0.57 107.942 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -87.82 51.26 2.16 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 121.724 -0.61 . . . . 0.57 109.636 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -159.94 60.65 0.36 Allowed 'General case' 0 C--N 1.353 0.732 0 CA-C-N 119.549 1.068 . . . . 0.91 108.809 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.61 176.01 12.56 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-O 118.586 -0.721 . . . . 0.91 109.45 -174.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.7 p-90 -144.06 161.2 39.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 117.952 -1.023 . . . . 0.57 109.484 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -104.53 119.85 39.92 Favored 'General case' 0 CA--C 1.502 -0.897 0 O-C-N 125.032 1.458 . . . . 0.57 109.215 -178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -53.62 146.47 13.13 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 113.121 0.785 . . . . 0.57 113.121 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.58 28.68 2.22 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 121.307 -0.871 . . . . 0.57 111.268 -179.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -139.02 -59.68 0.59 Allowed 'General case' 0 C--N 1.348 0.538 0 N-CA-C 108.904 -0.776 . . . . 0.57 108.904 -176.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.3 p -98.28 -5.03 33.88 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 119.214 0.916 . . . . 0.57 112.251 176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t 65.05 20.71 12.13 Favored 'General case' 0 C--N 1.365 1.269 0 CA-C-N 119.85 1.205 . . . . 0.57 112.412 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.491 HD13 ' CZ ' ' A' ' 23' ' ' ARG . 2.2 tp -95.87 141.14 29.66 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 108.864 -0.791 . . . . 0.57 108.864 -178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.61 154.1 42.53 Favored 'General case' 0 CA--C 1.508 -0.653 0 O-C-N 124.479 1.112 . . . . 0.57 110.885 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -154.03 138.34 16.65 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 120.137 -0.625 . . . . 0.57 110.63 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.9 138.09 25.15 Favored 'General case' 0 C--N 1.348 0.528 0 O-C-N 124.007 0.817 . . . . 0.57 110.717 -176.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -55.36 -27.8 49.75 Favored 'General case' 0 CA--C 1.5 -0.952 0 O-C-N 121.182 -0.948 . . . . 1.2 113.411 174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -22.16 66.7 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 119.426 -0.91 . . . . 0.57 110.427 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.94 131.34 42.83 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 108.594 -0.891 . . . . 1.2 108.594 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.99 15.43 3.4 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 118.153 -0.927 . . . . 0.57 111.805 172.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -177.68 178.68 0.98 Allowed 'General case' 0 CA--C 1.497 -1.079 0 CA-C-N 120.629 1.559 . . . . 0.57 109.452 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.6 t -83.57 132.51 34.91 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 118.397 0.544 . . . . 0.57 111.165 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -89.27 14.66 10.51 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.833 -1.167 . . . . 0.57 112.865 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.491 ' CZ ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -119.58 -57.7 1.96 Allowed 'General case' 0 CA--C 1.506 -0.714 0 CA-C-O 117.983 -1.008 . . . . 1.2 109.331 179.499 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.6 p -98.84 -11.93 21.3 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 119.977 1.262 . . . . 0.57 112.3 175.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.85 -29.11 6.04 Favored Glycine 0 C--N 1.359 1.853 0 CA-C-N 120.937 1.699 . . . . 0.57 112.581 -176.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 152.65 30.81 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 119.573 1.686 . . . . 0.57 112.089 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -91.23 152.84 20.36 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 119.975 -0.69 . . . . 0.91 111.266 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -19.71 54.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 118.499 -0.762 . . . . 0.57 111.686 175.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.18 23.43 5.76 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 117.572 -1.204 . . . . 0.57 109.839 177.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -117.79 -73.79 0.63 Allowed 'General case' 0 C--N 1.358 0.957 0 CA-C-N 119.834 1.197 . . . . 0.91 109.395 -177.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.674 0 CA-C-N 121.224 1.829 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.588 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -103.8 93.57 4.97 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 124.97 1.418 . . . . 0.57 109.001 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -87.41 60.02 5.83 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 123.302 0.641 . . . . 0.57 111.043 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 65.42 64.59 0.59 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 108.923 -0.769 . . . . 0.91 108.923 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -148.54 175.57 11.05 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.557 1.143 . . . . 0.91 109.638 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 68.7 p-90 -148.39 167.1 26.14 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.378 1.471 . . . . 0.57 110.154 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -119.94 134.28 55.29 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.515 1.126 . . . . 0.57 109.981 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.2 t -64.97 138.16 58.19 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.498 0.719 . . . . 0.57 109.936 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -84.1 19.85 1.71 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.086 0.955 . . . . 0.57 112.583 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.12 -64.59 0.81 Allowed 'General case' 0 C--N 1.341 0.232 0 C-N-CA 124.33 1.052 . . . . 0.57 109.244 -176.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.4 p -95.45 -5.39 43.14 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.408 1.083 . . . . 0.57 113.502 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.8 m 65.14 17.29 10.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.029 1.331 . . . . 0.57 113.329 -179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.661 HD22 ' HB2' ' A' ' 23' ' ' ARG . 6.9 tp -78.22 135.02 37.51 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 124.208 1.003 . . . . 0.57 109.795 -179.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.13 154.48 41.05 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 122.621 0.369 . . . . 0.57 111.939 171.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -156.62 150.42 24.81 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.027 1.331 . . . . 0.57 110.486 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.19 147.31 35.87 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.893 0.877 . . . . 0.57 111.322 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -31.64 72.47 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 121.691 -0.631 . . . . 1.2 112.235 175.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -61.18 -30.17 70.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.603 0.761 . . . . 0.57 112.113 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 161.09 2.84 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 118.761 0.71 . . . . 1.2 110.967 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.58 -45.42 4.43 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.911 0.884 . . . . 0.57 110.594 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -147.61 160.95 42.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.267 1.027 . . . . 0.57 108.888 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 t -64.2 123.66 19.67 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.648 -0.871 . . . . 0.57 108.648 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -76.38 -15.62 59.91 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 119.048 -0.501 . . . . 0.57 111.703 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.661 ' HB2' HD22 ' A' ' 12' ' ' LEU . 2.2 ttm180 -80.72 -67.94 0.73 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 123.687 0.795 . . . . 1.2 110.285 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.8 p -83.43 -20.57 33.87 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.516 0.726 . . . . 0.57 112.694 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.58 -18.08 55.99 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 118.778 -1.012 . . . . 0.57 112.908 -177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.24 147.09 42.76 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 118.427 1.114 . . . . 0.57 110.331 -175.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -71.24 152.56 43.19 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 110.209 -0.293 . . . . 0.91 110.209 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -56.71 -21.35 27.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.615 0.766 . . . . 0.57 112.663 171.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.54 20.15 18.91 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.554 1.142 . . . . 0.57 112.579 179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 57.58 -92.57 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 114.979 -2.439 . . . . 0.91 110.625 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 125.058 1.473 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.491 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -113.96 -171.27 1.87 Allowed 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 123.822 0.702 . . . . 0.57 109.138 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -74.49 61.11 0.91 Allowed 'General case' 0 CA--C 1.508 -0.647 0 CA-C-O 118.721 -0.657 . . . . 0.57 111.292 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 71.03 63.93 0.17 Allowed 'General case' 0 C--N 1.351 0.646 0 CA-C-N 118.462 0.573 . . . . 0.91 109.642 176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -151.35 172.94 15.12 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.893 -1.051 . . . . 0.91 109.348 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.4 ' CH2' ' HB3' ' A' ' 28' ' ' LYS . 52.6 p-90 -143.66 162.07 36.9 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.745 -1.121 . . . . 0.57 110.081 178.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -103.33 132.57 49.48 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 118.143 -0.932 . . . . 0.57 109.982 -175.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.7 t -68.4 152.65 45.12 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-N 119.477 1.035 . . . . 0.57 111.754 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.87 27.4 3.14 Favored 'General case' 0 C--N 1.354 0.787 0 O-C-N 123.258 0.349 . . . . 0.57 110.751 179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -140.31 -51.94 0.49 Allowed 'General case' 0 C--N 1.351 0.658 0 CA-C-O 118.083 -0.961 . . . . 0.57 110.458 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.04 1.01 20.25 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 117.936 -1.031 . . . . 0.57 111.754 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 65.1 18.54 11.51 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 121.108 1.776 . . . . 0.57 113.024 177.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 13' ' ' ASN . 3.1 tm? -87.6 141.3 28.72 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 118.698 0.681 . . . . 0.57 110.377 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.48 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -78.95 120.82 24.09 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 117.353 -1.308 . . . . 0.57 110.163 -176.381 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -119.87 150.05 41.09 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 119.736 1.153 . . . . 0.57 112.793 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.36 148.09 7.15 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 124.982 1.426 . . . . 0.57 110.699 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.8 -27.54 68.95 Favored 'General case' 0 CA--C 1.506 -0.727 0 C-N-CA 119.64 -0.824 . . . . 1.2 112.864 176.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -76.27 -5.88 48.93 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.572 -1.204 . . . . 0.57 112.311 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.74 135.29 38.0 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 120.502 1.501 . . . . 1.2 108.121 -174.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.3 mt -80.02 -24.44 40.78 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 118.156 -0.926 . . . . 0.57 109.794 176.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 pttm -150.93 165.87 32.36 Favored 'General case' 0 CA--C 1.496 -1.098 0 C-N-CA 118.976 -1.09 . . . . 0.57 109.209 -178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t -60.13 126.24 26.77 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 119.252 -0.979 . . . . 0.57 110.394 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -78.91 -5.09 52.79 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 118.771 0.714 . . . . 0.57 111.916 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.72 -64.77 1.01 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 118.142 -0.932 . . . . 1.2 110.479 -178.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.0 p -84.56 -17.66 38.13 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 119.532 1.06 . . . . 0.57 108.431 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.62 -28.07 12.29 Favored Glycine 0 C--N 1.355 1.628 0 CA-C-N 119.8 1.182 . . . . 0.57 110.788 -178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.91 154.81 41.47 Favored 'General case' 0 CA--C 1.508 -0.651 0 CA-C-N 118.233 1.016 . . . . 0.57 111.888 -173.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.05 156.35 38.79 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 119.141 -1.024 . . . . 0.91 111.098 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HB3' ' CH2' ' A' ' 5' ' ' TRP . 8.7 ptpt -57.11 -24.5 54.58 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-O 117.945 -1.026 . . . . 0.57 111.117 175.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.8 15.41 22.72 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 118.858 0.754 . . . . 0.57 110.923 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -152.17 26.78 0.61 Allowed 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 118.93 0.786 . . . . 0.91 108.887 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 120.886 -1.134 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.604 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.9 ttmm -88.68 51.32 2.14 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 119.961 -0.696 . . . . 0.57 109.486 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -84.88 64.75 8.81 Favored 'General case' 0 CA--C 1.507 -0.684 0 N-CA-C 108.496 -0.928 . . . . 0.57 108.496 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 65.14 67.62 0.52 Allowed 'General case' 0 C--N 1.349 0.58 0 N-CA-C 109.097 -0.705 . . . . 0.91 109.097 178.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 p30 -154.15 178.2 10.25 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 118.941 -0.552 . . . . 0.91 110.011 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 56.2 p-90 -145.31 163.24 35.12 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 118.128 -0.939 . . . . 0.57 109.529 178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mt -109.51 126.96 54.09 Favored 'General case' 0 CA--C 1.5 -0.948 0 O-C-N 124.806 1.316 . . . . 0.57 108.491 -177.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 40.0 t -61.44 152.53 29.62 Favored 'General case' 0 CA--C 1.509 -0.61 0 C-N-CA 118.897 -1.121 . . . . 0.57 112.825 -178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.93 25.06 4.97 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 118.066 0.394 . . . . 0.57 111.168 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -137.81 -58.83 0.67 Allowed 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 108.584 -0.895 . . . . 0.57 108.584 -175.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.8 p -102.29 1.02 35.21 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.396 -0.811 . . . . 0.57 112.612 174.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.14 18.47 11.27 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.146 1.339 . . . . 0.57 113.036 176.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.598 HD22 ' HB2' ' A' ' 23' ' ' ARG . 7.5 tp -86.83 139.38 30.74 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 109.256 -0.646 . . . . 0.57 109.256 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -71.76 150.28 44.58 Favored 'General case' 0 CA--C 1.511 -0.543 0 O-C-N 123.929 0.768 . . . . 0.57 111.394 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -152.27 141.27 21.2 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-O 118.944 -0.55 . . . . 0.57 110.784 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -51.89 149.21 5.08 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 123.896 0.747 . . . . 0.57 111.725 -177.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.25 71.36 Favored 'General case' 0 CA--C 1.503 -0.851 0 O-C-N 121.482 -0.762 . . . . 1.2 111.745 176.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -64.63 -25.39 67.94 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 119.717 -0.793 . . . . 0.57 110.824 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.56 156.73 7.82 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 119.912 -0.715 . . . . 1.2 109.712 -177.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.5 -7.42 14.33 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 117.962 -1.018 . . . . 0.57 112.0 173.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 152.13 4.56 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 120.451 1.478 . . . . 0.57 108.266 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 t -61.33 133.67 56.11 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 119.196 -1.002 . . . . 0.57 110.419 -173.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.59 10.67 22.16 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 118.889 0.768 . . . . 0.57 111.133 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.598 ' HB2' HD22 ' A' ' 12' ' ' LEU . 3.2 ttp180 -113.85 -55.62 2.49 Favored 'General case' 0 CA--C 1.505 -0.783 0 CA-C-O 118.132 -0.937 . . . . 1.2 109.302 179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.8 p -100.5 -9.45 22.07 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 117.184 -1.389 . . . . 0.57 111.531 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 -33.24 4.57 Favored Glycine 0 C--N 1.358 1.76 0 CA-C-N 121.631 2.014 . . . . 0.57 112.936 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.05 151.55 22.02 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 118.866 1.333 . . . . 0.57 111.463 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -93.92 154.57 17.63 Favored 'General case' 0 CA--C 1.506 -0.72 0 C-N-CA 119.899 -0.72 . . . . 0.91 111.382 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -22.56 40.88 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 118.028 -0.987 . . . . 0.57 112.59 175.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -102.64 17.26 24.18 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 118.512 -0.756 . . . . 0.57 109.871 177.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -155.68 31.61 0.36 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 119.515 1.052 . . . . 0.91 110.856 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.604 0 O-C-N 119.703 -1.873 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.424 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -103.9 102.29 12.09 Favored 'General case' 0 CA--C 1.508 -0.66 0 N-CA-C 107.758 -1.201 . . . . 0.57 107.758 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -92.72 50.16 1.55 Allowed 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.238 -1.023 . . . . 0.57 108.238 -178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -163.89 63.76 0.16 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.551 -0.907 . . . . 0.91 108.551 -176.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.4 p30 -152.9 177.7 10.47 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 118.199 -0.905 . . . . 0.91 109.859 -176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.1 p-90 -143.16 165.9 26.15 Favored 'General case' 0 CA--C 1.505 -0.775 0 CA-C-O 117.625 -1.179 . . . . 0.57 109.248 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -112.88 127.66 56.25 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 124.51 1.131 . . . . 0.57 108.938 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.8 t -59.42 152.89 20.42 Favored 'General case' 0 CA--C 1.505 -0.78 0 C-N-CA 118.984 -1.087 . . . . 0.57 111.695 -176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.55 20.11 10.06 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 118.976 -0.535 . . . . 0.57 110.946 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.77 -61.24 0.9 Allowed 'General case' 0 C--N 1.352 0.681 0 N-CA-C 108.557 -0.905 . . . . 0.57 108.557 -177.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.7 p -99.16 0.74 44.04 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 118.117 -0.944 . . . . 0.57 112.789 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.0 m 63.28 16.42 9.44 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 120.183 1.356 . . . . 0.57 113.574 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 23' ' ' ARG . 4.9 tp -81.76 131.03 35.25 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 108.111 -1.07 . . . . 0.57 108.111 -177.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.06 149.71 48.43 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 118.248 -0.882 . . . . 0.57 111.758 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -152.96 138.61 17.83 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 120.085 -0.646 . . . . 0.57 112.501 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -55.6 147.96 17.0 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 120.559 -0.456 . . . . 0.57 111.375 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -61.5 -28.86 69.6 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 119.314 -0.954 . . . . 1.2 111.829 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -59.12 -24.89 63.38 Favored 'General case' 0 C--O 1.221 -0.444 0 C-N-CA 119.423 -0.911 . . . . 0.57 110.608 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -65.74 161.49 20.66 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 120.178 -0.609 . . . . 1.2 109.381 -176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.64 3.55 13.09 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 117.841 -1.076 . . . . 0.57 112.212 173.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -178.38 157.95 1.08 Allowed 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 120.455 1.48 . . . . 0.57 107.659 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.6 t -66.8 127.14 31.32 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 118.753 -1.179 . . . . 0.57 110.605 -175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -79.88 -8.07 59.09 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-O 118.445 -0.788 . . . . 0.57 111.587 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.555 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.7 ttm180 -90.49 -63.05 1.33 Allowed 'General case' 0 C--N 1.353 0.728 0 CA-C-N 118.985 0.811 . . . . 1.2 109.917 -178.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.4 p -86.9 -16.92 34.54 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-O 117.698 -1.144 . . . . 0.57 109.588 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.02 -19.77 47.04 Favored Glycine 0 C--N 1.357 1.733 0 CA-C-N 120.217 1.371 . . . . 0.57 111.174 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.87 152.54 37.16 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 118.941 1.37 . . . . 0.57 110.159 -173.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -75.6 154.7 36.54 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.342 -0.943 . . . . 0.91 112.318 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -21.63 27.96 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-O 117.986 -1.007 . . . . 0.57 112.748 174.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.7 20.27 18.96 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 119.236 0.925 . . . . 0.57 109.937 178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -91.31 -30.59 16.49 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.198 0.908 . . . . 0.91 111.575 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.575 0 CA-C-N 120.034 1.288 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.423 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -85.46 92.5 8.51 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 120.017 -0.673 . . . . 0.57 109.368 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -89.14 54.11 2.87 Favored 'General case' 0 CA--C 1.509 -0.623 0 O-C-N 121.83 -0.544 . . . . 0.57 110.309 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 67.45 66.69 0.39 Allowed 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 120.377 -0.529 . . . . 0.91 110.145 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -151.96 179.71 8.22 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 119.069 -0.491 . . . . 0.91 110.147 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -146.79 164.86 31.44 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 118.517 -0.754 . . . . 0.57 109.861 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.593 HD11 ' HA ' ' A' ' 11' ' ' CYS . 10.1 tp -107.19 128.13 54.14 Favored 'General case' 0 CA--C 1.505 -0.774 0 O-C-N 125.121 1.513 . . . . 0.57 110.434 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.1 t -69.65 144.07 53.02 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 119.597 -0.841 . . . . 0.57 112.77 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -95.79 33.18 1.71 Allowed 'General case' 0 C--N 1.35 0.613 0 O-C-N 122.096 -0.377 . . . . 0.57 111.401 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -140.65 -59.92 0.51 Allowed 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 118.896 -0.573 . . . . 0.57 109.512 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.1 p -96.69 -1.38 46.71 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-O 118.863 -0.589 . . . . 0.57 111.511 176.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.593 ' HA ' HD11 ' A' ' 6' ' ' LEU . 0.0 OUTLIER 68.48 13.37 8.96 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 119.195 0.907 . . . . 0.57 110.952 178.03 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 13' ' ' ASN . 1.0 OUTLIER -96.75 135.74 38.26 Favored 'General case' 0 CA--C 1.506 -0.733 0 CA-C-N 118.786 0.721 . . . . 0.57 109.57 -174.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.431 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.6 t30 -79.81 150.78 30.6 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-O 118.792 -0.623 . . . . 0.57 112.16 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -146.98 146.51 30.11 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 119.971 -0.692 . . . . 0.57 111.685 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.25 149.55 7.1 Favored 'General case' 0 CA--C 1.51 -0.559 0 O-C-N 124.694 1.246 . . . . 0.57 111.595 -178.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.26 -25.15 67.67 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 112.763 0.653 . . . . 1.2 112.763 177.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -69.06 -19.96 64.1 Favored 'General case' 0 CA--C 1.507 -0.695 0 O-C-N 123.982 0.801 . . . . 0.57 112.446 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.92 126.99 31.53 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 119.581 -0.848 . . . . 1.2 108.753 -176.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -86.38 6.33 30.63 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 117.72 -1.133 . . . . 0.57 109.568 176.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -177.15 149.54 0.69 Allowed 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 119.79 1.177 . . . . 0.57 109.315 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.7 t -55.56 127.89 31.93 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.352 -0.939 . . . . 0.57 111.589 -177.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -86.6 6.5 30.6 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 118.686 0.675 . . . . 0.57 111.768 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.37 -52.98 2.71 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-O 118.07 -0.967 . . . . 1.2 111.349 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p -98.45 -15.82 19.47 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 117.673 -1.156 . . . . 0.57 111.058 176.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.63 -32.93 5.46 Favored Glycine 0 C--N 1.357 1.696 0 CA-C-N 120.115 1.325 . . . . 0.57 111.792 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.38 148.45 37.17 Favored 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 117.622 0.711 . . . . 0.57 112.172 -176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.92 155.54 39.77 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 112.767 0.654 . . . . 0.91 112.767 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -18.86 45.62 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-O 117.908 -1.044 . . . . 0.57 111.946 176.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.49 25.24 11.45 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-O 118.472 -0.775 . . . . 0.57 110.204 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -115.97 -156.79 0.63 Allowed 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.125 -1.417 . . . . 0.91 107.479 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 0.678 0 CA-C-N 122.963 2.619 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.449 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -103.63 99.2 9.0 Favored 'General case' 0 C--N 1.351 0.657 0 N-CA-C 108.234 -1.024 . . . . 0.57 108.234 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -91.04 60.61 4.37 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 119.485 1.039 . . . . 0.57 109.279 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 65.54 65.57 0.55 Allowed 'General case' 0 C--N 1.348 0.541 0 N-CA-C 109.047 -0.723 . . . . 0.91 109.047 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -149.97 177.73 9.59 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.283 -0.865 . . . . 0.91 109.557 -177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 53.3 p-90 -145.63 163.65 34.18 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-O 117.802 -1.094 . . . . 0.57 109.681 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -107.5 125.1 50.85 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.43 1.081 . . . . 0.57 108.961 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.4 t -57.55 152.03 15.72 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.22 -0.992 . . . . 0.57 112.476 -178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.7 24.91 4.32 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 119.384 -0.341 . . . . 0.57 110.886 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -137.81 -53.43 0.65 Allowed 'General case' 0 C--N 1.351 0.67 0 CA-C-O 118.645 -0.693 . . . . 0.57 109.225 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.4 p -108.58 0.44 20.77 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-O 117.822 -1.085 . . . . 0.57 113.109 172.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t 64.39 17.84 11.0 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 121.036 1.743 . . . . 0.57 113.702 178.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.655 HD22 ' HB2' ' A' ' 23' ' ' ARG . 13.9 tp -79.47 139.51 37.61 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.093 -1.077 . . . . 0.57 108.093 -178.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.14 146.74 41.1 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 118.225 -0.893 . . . . 0.57 109.927 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -150.21 145.35 26.2 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 119.03 0.832 . . . . 0.57 111.472 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.9 145.63 19.56 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 123.855 0.722 . . . . 0.57 111.398 -176.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -62.06 -27.76 69.13 Favored 'General case' 0 CA--C 1.502 -0.885 0 N-CA-C 113.644 0.979 . . . . 1.2 113.644 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -22.19 64.29 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 119.089 -1.044 . . . . 0.57 111.526 175.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 166.96 15.51 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 119.209 -0.996 . . . . 1.2 109.999 -174.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -136.56 25.24 3.15 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.083 0.865 . . . . 0.57 111.314 178.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -173.41 129.88 0.45 Allowed 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 118.448 -1.301 . . . . 0.57 109.256 -178.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -65.37 130.76 44.46 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 117.998 -1.481 . . . . 0.57 110.843 -173.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -79.12 -18.41 53.31 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 119.979 -0.688 . . . . 0.57 111.466 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.655 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.3 ttm180 -74.41 -63.1 1.31 Allowed 'General case' 0 C--N 1.35 0.612 0 CA-C-O 119.186 -0.435 . . . . 1.2 110.648 -178.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.9 p -88.23 -19.24 27.09 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 117.829 -1.081 . . . . 0.57 108.593 -178.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.0 -6.64 82.63 Favored Glycine 0 C--N 1.357 1.719 0 CA-C-O 117.653 -1.637 . . . . 0.57 110.948 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.02 164.48 16.45 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 119.937 1.868 . . . . 0.57 110.613 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -72.0 173.4 8.46 Favored 'General case' 0 C--N 1.35 0.617 0 C-N-CA 119.524 -0.87 . . . . 0.91 109.919 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -60.88 -53.13 61.03 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.045 -0.724 . . . . 0.57 109.045 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' NH2 . 0.1 OUTLIER -100.67 22.09 12.44 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 108.635 -0.876 . . . . 0.57 108.635 -178.424 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 56.68 -66.38 0.02 OUTLIER 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.967 -1.016 . . . . 0.91 113.661 -176.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PHE . . . . . . . . 0 C--N 1.348 0.509 0 CA-C-N 122.074 2.216 . . . . -0.8 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.56 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -82.6 51.06 1.78 Allowed 'General case' 0 C--N 1.349 0.566 0 C-N-CA 120.287 -0.565 . . . . 0.57 109.557 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -83.37 65.88 8.55 Favored 'General case' 0 CA--C 1.507 -0.676 0 N-CA-C 107.588 -1.264 . . . . 0.57 107.588 -177.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 64.35 66.15 0.63 Allowed 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.16 -0.616 . . . . 0.91 109.587 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -152.59 176.93 11.19 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 118.427 -0.797 . . . . 0.91 109.683 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -143.54 162.21 36.45 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 117.896 -1.05 . . . . 0.57 109.432 178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.22 127.46 54.26 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 124.674 1.234 . . . . 0.57 108.937 -178.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.6 t -61.43 151.44 32.55 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 118.894 -1.122 . . . . 0.57 112.363 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -94.23 24.97 4.04 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.979 0.809 . . . . 0.57 111.926 179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 -60.7 0.72 Allowed 'General case' 0 C--N 1.351 0.647 0 N-CA-C 108.415 -0.957 . . . . 0.57 108.415 -175.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.9 p -99.42 -0.46 40.84 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 118.35 -0.833 . . . . 0.57 112.321 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.33 18.37 11.27 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 120.066 1.303 . . . . 0.57 113.042 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.593 HD22 ' HB2' ' A' ' 23' ' ' ARG . 8.3 tp -85.45 138.41 32.25 Favored 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 109.046 -0.724 . . . . 0.57 109.046 -178.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.86 150.3 42.78 Favored 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 123.997 0.81 . . . . 0.57 111.261 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -153.64 143.09 21.65 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 118.783 -0.627 . . . . 0.57 111.035 178.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.07 151.57 6.81 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 123.834 0.709 . . . . 0.57 111.199 -175.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -68.64 -24.88 64.59 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 113.446 0.906 . . . . 1.2 113.446 176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -70.17 -18.25 63.19 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.357 -0.609 . . . . 0.57 109.357 178.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.95 174.3 3.11 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 119.265 -0.974 . . . . 1.2 109.531 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.76 -50.14 2.79 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-O 117.236 -1.364 . . . . 0.57 110.058 176.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -138.19 164.69 28.55 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-N 120.794 1.633 . . . . 0.57 107.905 -174.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 t -66.83 132.82 48.84 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 118.975 -1.09 . . . . 0.57 111.087 -174.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -89.48 7.82 34.14 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 118.552 -0.737 . . . . 0.57 111.86 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.593 ' HB2' HD22 ' A' ' 12' ' ' LEU . 1.4 ttp180 -108.86 -55.5 2.39 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 118.141 -0.933 . . . . 1.2 109.554 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.6 p -100.11 -11.3 20.62 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-O 117.095 -1.431 . . . . 0.57 111.575 177.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.56 -33.0 4.98 Favored Glycine 0 C--N 1.359 1.815 0 CA-C-N 121.622 2.01 . . . . 0.57 112.678 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.03 150.22 17.47 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 118.46 1.13 . . . . 0.57 112.028 -176.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -80.46 155.16 27.2 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 119.49 -0.884 . . . . 0.91 110.273 -177.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -19.53 63.29 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-O 118.198 -0.906 . . . . 0.57 112.123 175.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.33 27.53 9.41 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 118.622 -0.704 . . . . 0.57 109.526 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -156.05 120.41 4.56 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 108.187 -1.042 . . . . 0.91 108.187 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.485 0 CA-C-N 120.447 1.476 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.411 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -103.48 98.7 8.55 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 107.942 -1.133 . . . . 0.57 107.942 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -89.42 50.5 1.93 Allowed 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 119.376 0.989 . . . . 0.57 110.066 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.03 77.84 0.02 OUTLIER 'General case' 0 C--N 1.353 0.733 0 N-CA-C 107.891 -1.151 . . . . 0.91 107.891 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -152.59 177.06 11.06 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 121.085 -1.009 . . . . 0.91 110.46 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 57.6 p-90 -144.72 164.28 31.48 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 117.989 -1.005 . . . . 0.57 109.359 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -109.52 132.33 54.24 Favored 'General case' 0 CA--C 1.505 -0.762 0 O-C-N 124.682 1.239 . . . . 0.57 109.256 -176.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.9 t -65.58 153.78 40.59 Favored 'General case' 0 CA--C 1.506 -0.743 0 C-N-CA 118.998 -1.081 . . . . 0.57 112.149 -177.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.95 23.77 6.09 Favored 'General case' 0 C--N 1.354 0.776 0 O-C-N 123.338 0.399 . . . . 0.57 110.738 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -138.28 -56.79 0.65 Allowed 'General case' 0 C--N 1.351 0.655 0 N-CA-C 108.735 -0.839 . . . . 0.57 108.735 -175.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.6 p -102.8 -1.37 29.9 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-O 118.062 -0.97 . . . . 0.57 112.972 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 64.92 16.78 10.72 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 120.837 1.653 . . . . 0.57 113.339 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' A' ' 23' ' ' ARG . 11.1 tp -82.39 142.32 32.07 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 107.782 -1.192 . . . . 0.57 107.782 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.37 151.82 36.5 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-O 118.37 -0.824 . . . . 0.57 110.38 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -152.76 147.82 26.51 Favored 'General case' 0 C--N 1.351 0.649 0 CA-C-N 119.148 0.885 . . . . 0.57 111.898 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.31 146.11 35.52 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.542 0.526 . . . . 0.57 110.807 -173.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -56.06 -28.92 59.52 Favored 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 114.465 1.283 . . . . 1.2 114.465 173.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.57 -21.47 61.15 Favored 'General case' 0 CA--C 1.509 -0.602 0 C-N-CA 120.62 -0.432 . . . . 0.57 110.602 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.27 160.5 10.44 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 119.793 -0.763 . . . . 1.2 109.326 -175.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.76 -30.17 10.08 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 117.691 -1.147 . . . . 0.57 111.593 173.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -156.49 160.05 39.18 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 120.523 1.511 . . . . 0.57 107.871 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.4 t -63.75 128.58 36.47 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 118.439 -1.304 . . . . 0.57 109.929 -173.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -79.85 -3.98 50.23 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 118.394 -0.813 . . . . 0.57 111.491 -178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.6 ' HB2' HD22 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -93.88 -62.21 1.39 Allowed 'General case' 0 C--N 1.353 0.729 0 CA-C-N 118.867 0.758 . . . . 1.2 109.821 -177.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.2 p -89.1 -17.47 29.2 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.519 -1.229 . . . . 0.57 108.432 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.59 -16.3 59.45 Favored Glycine 0 C--N 1.356 1.682 0 CA-C-N 120.134 1.333 . . . . 0.57 111.063 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.69 152.53 33.68 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 118.973 1.387 . . . . 0.57 110.257 -172.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.55 153.95 38.83 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 119.396 -0.922 . . . . 0.91 110.223 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -58.17 -21.16 46.06 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-O 118.389 -0.815 . . . . 0.57 111.589 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.21 23.94 8.55 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.294 -0.86 . . . . 0.57 109.296 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -148.44 -69.34 0.22 Allowed 'General case' 0 C--N 1.354 0.799 0 CA-C-N 119.933 1.242 . . . . 0.91 109.691 -178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.464 0 CA-C-N 120.328 1.422 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.406 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.45 -166.24 1.09 Allowed 'General case' 0 C--N 1.352 0.711 0 N-CA-C 108.573 -0.899 . . . . 0.57 108.573 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -88.92 37.92 0.86 Allowed 'General case' 0 C--N 1.349 0.579 0 CA-C-O 118.08 -0.962 . . . . 0.57 110.195 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -167.9 62.59 0.07 Allowed 'General case' 0 C--N 1.354 0.783 0 CA-C-N 119.571 1.078 . . . . 0.91 108.416 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.46 -178.75 7.57 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.969 -1.015 . . . . 0.91 109.282 -174.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.403 ' CH2' ' HB3' ' A' ' 28' ' ' LYS . 56.0 p-90 -155.16 166.0 34.95 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.526 -1.226 . . . . 0.57 109.595 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -112.04 132.64 54.69 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 124.534 1.146 . . . . 0.57 109.699 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.7 t -70.57 151.2 45.28 Favored 'General case' 0 CA--C 1.507 -0.693 0 C-N-CA 118.534 -1.266 . . . . 0.57 111.099 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -97.32 31.43 2.5 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 123.465 0.478 . . . . 0.57 110.821 178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.93 -58.92 0.47 Allowed 'General case' 0 C--N 1.351 0.64 0 CA-C-O 118.625 -0.702 . . . . 0.57 109.416 -178.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.4 p -97.98 -0.58 44.48 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-O 117.74 -1.124 . . . . 0.57 111.874 173.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.4 m 65.46 18.43 11.29 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 120.425 1.466 . . . . 0.57 112.136 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -90.89 136.35 33.13 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 109.164 -0.68 . . . . 0.57 109.164 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -77.92 115.01 17.34 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 117.206 -1.378 . . . . 0.57 111.851 177.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -115.25 151.37 34.62 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.876 1.217 . . . . 0.57 109.052 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.27 157.12 20.31 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 123.753 0.658 . . . . 0.57 110.642 -176.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -65.87 -33.92 76.94 Favored 'General case' 0 CA--C 1.499 -1.015 0 O-C-N 121.367 -0.833 . . . . 1.2 111.888 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -57.44 -23.07 47.45 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 119.069 -1.052 . . . . 0.57 112.06 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.86 109.37 8.27 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 119.145 0.884 . . . . 1.2 108.719 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -34.86 61.83 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.478 0.581 . . . . 0.57 111.26 174.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -135.94 177.88 7.49 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 117.992 -1.004 . . . . 0.57 110.505 -174.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 t -76.47 134.61 39.47 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 118.277 -0.868 . . . . 0.57 112.274 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.05 8.07 31.68 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 118.957 0.799 . . . . 0.57 112.966 178.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -113.05 -55.36 2.53 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 117.965 -1.017 . . . . 1.2 109.594 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.4 p -97.64 -12.37 22.51 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-O 117.137 -1.411 . . . . 0.57 111.339 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 -37.46 3.38 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-N 121.234 1.834 . . . . 0.57 112.272 -177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.62 148.23 12.89 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 118.053 0.926 . . . . 0.57 112.439 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -70.44 154.03 42.32 Favored 'General case' 0 CA--C 1.508 -0.643 0 C-N-CA 119.62 -0.832 . . . . 0.91 112.377 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB3' ' CH2' ' A' ' 5' ' ' TRP . 3.0 ptpt -59.73 -21.19 60.33 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 118.161 -0.923 . . . . 0.57 112.039 175.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.93 25.24 12.02 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-O 118.138 -0.934 . . . . 0.57 109.52 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -138.47 108.04 6.21 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 119.831 1.196 . . . . 0.91 108.001 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 0.521 0 CA-C-N 119.369 0.986 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.57 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -81.41 52.2 1.8 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 119.872 -0.731 . . . . 0.57 109.822 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -85.16 64.48 8.7 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 107.696 -1.224 . . . . 0.57 107.696 -174.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 65.77 64.89 0.55 Allowed 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 119.932 -0.707 . . . . 0.91 109.882 177.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -151.08 176.76 10.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 118.922 -0.561 . . . . 0.91 109.681 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -142.16 163.01 34.02 Favored 'General case' 0 CA--C 1.505 -0.765 0 CA-C-O 117.815 -1.088 . . . . 0.57 109.875 178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.38 130.22 49.07 Favored 'General case' 0 C--N 1.354 0.786 0 O-C-N 125.092 1.495 . . . . 0.57 109.151 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.87 151.2 47.53 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 118.94 -1.104 . . . . 0.57 112.428 -179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -94.76 25.69 3.93 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.27 0.487 . . . . 0.57 111.375 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -135.99 -58.37 0.76 Allowed 'General case' 0 C--N 1.35 0.599 0 N-CA-C 109.018 -0.734 . . . . 0.57 109.018 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.3 p -104.08 1.1 30.52 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-O 117.999 -1.001 . . . . 0.57 112.349 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 64.13 19.04 11.6 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 120.222 1.374 . . . . 0.57 113.288 175.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.599 HD22 ' HB2' ' A' ' 23' ' ' ARG . 9.1 tp -87.93 147.91 24.84 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 109.29 -0.633 . . . . 0.57 109.29 -177.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.49 142.24 39.22 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 124.15 0.906 . . . . 0.57 111.285 176.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -141.4 146.99 37.27 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 118.509 0.595 . . . . 0.57 111.102 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.98 147.55 19.47 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 124.273 0.983 . . . . 0.57 110.087 -174.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -62.35 -25.83 68.12 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 119.422 1.01 . . . . 1.2 112.245 175.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -20.76 62.63 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.993 -0.683 . . . . 0.57 109.636 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.86 145.91 55.38 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.625 -0.83 . . . . 1.2 108.851 -173.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mt -94.95 -25.71 16.42 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 117.569 -1.205 . . . . 0.57 110.637 175.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -149.36 159.61 44.13 Favored 'General case' 0 CA--C 1.498 -1.055 0 CA-C-N 120.322 1.419 . . . . 0.57 108.144 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 t -62.44 133.24 54.74 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 118.844 -1.142 . . . . 0.57 109.674 -175.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -88.14 8.01 28.95 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-O 118.623 -0.703 . . . . 0.57 111.956 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.599 ' HB2' HD22 ' A' ' 12' ' ' LEU . 3.0 ttp180 -112.96 -56.75 2.38 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-O 118.2 -0.905 . . . . 1.2 109.449 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 17.1 p -98.68 -11.05 22.37 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 117.245 -1.359 . . . . 0.57 111.668 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.31 -34.72 4.04 Favored Glycine 0 C--N 1.358 1.79 0 CA-C-N 121.446 1.93 . . . . 0.57 112.618 -177.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.28 157.14 5.08 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 119.194 1.497 . . . . 0.57 112.676 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -91.61 174.25 7.46 Favored 'General case' 0 CA--C 1.507 -0.68 0 C-N-CA 120.766 -0.374 . . . . 0.91 110.491 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -60.59 -52.17 66.32 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 108.904 -0.776 . . . . 0.57 108.904 -175.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.59 26.49 8.43 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 108.225 -1.028 . . . . 0.57 108.225 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 t70 51.89 -133.58 1.77 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-O 117.213 -1.375 . . . . 0.91 108.903 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 0.571 0 CA-C-N 122.943 2.61 . . . . -0.8 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_