data_6px8_residue ############################ # Computer software used # ############################ 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 6px8 _Structure_validation_residue.Date_analyzed 2020-01-17 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.531 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 8.0 pt . . . . . 0 C--O 1.243 0.716 0 CA-C-O 122.041 0.924 . . . . 0.0 111.599 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -124.05 151.77 43.43 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.3 -173.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.1 m -119.55 98.84 6.32 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.073 0.463 . . . . 0.0 111.369 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -90.63 -34.83 15.3 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.8 mt -104.83 148.84 26.2 Favored 'General case' 0 N--CA 1.395 -3.222 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.7 mt -108.64 113.93 45.36 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.037 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.55 -40.22 2.85 Favored Glycine 0 C--O 1.216 -1.012 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.044 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -87.03 8.06 25.06 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 122.264 1.031 . . . . 0.0 109.394 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.479 ' O ' HG21 ' A' ' 14' ' ' VAL . 11.5 tp10 -83.77 70.31 10.34 Favored 'General case' 0 N--CA 1.416 -2.152 0 CA-C-N 113.936 -1.484 . . . . 0.0 110.527 -173.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.49 -30.32 69.64 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.335 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.87 -23.78 67.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 t -87.99 -45.77 9.92 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 10' ' ' GLU . 46.4 t -51.97 -42.19 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 123.598 0.759 . . . . 0.0 111.725 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.89 -31.44 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.537 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -66.4 -41.98 88.52 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.544 0.688 . . . . 0.0 109.451 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.572 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 55.9 m -65.04 -42.89 93.9 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.446 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.13 -32.47 72.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.079 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.51 81.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.988 0.423 . . . . 0.0 110.283 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -69.68 -33.47 72.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.993 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.46 19.47 4.19 Favored Glycine 0 C--N 1.31 -0.906 0 C-N-CA 120.026 -1.083 . . . . 0.0 112.252 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -81.24 159.7 24.47 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 122.382 0.273 . . . . 0.0 110.317 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.48 -27.86 68.88 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.74 -172.92 38.02 Favored Glycine 0 N--CA 1.417 -2.609 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.572 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -149.34 165.02 29.42 Favored Glycine 0 N--CA 1.414 -2.826 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -177.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -159.53 153.0 22.49 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 92.8 m -96.58 128.6 43.67 Favored 'General case' 0 C--N 1.281 -2.371 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 173.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.74 -175.63 4.45 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.994 -0.682 . . . . 0.0 109.973 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -57.99 -25.43 61.03 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 123.432 0.693 . . . . 0.0 112.652 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -79.1 0.12 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.088 -0.382 . . . . 0.0 111.742 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt 69.65 22.25 6.28 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.552 0.741 . . . . 0.0 110.416 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 59.0 t -102.58 140.19 21.59 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.569 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.531 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.2 m -75.38 121.68 22.63 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.518 174.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -124.79 137.27 54.32 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 55.8 m -115.8 130.14 56.72 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 35.2 ttm180 172.36 -39.45 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.916 0.76 . . . . 0.0 109.797 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 . . . . . 0 C--N 1.314 -0.975 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.649 -173.794 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.421 HD11 ' HB2' ' A' ' 33' ' ' CYS . 14.5 pt . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.587 0.708 . . . . 0.0 112.781 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.6 m -145.14 148.33 33.47 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.0 m -115.77 110.11 18.62 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.423 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -95.76 -47.11 6.31 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 171.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.7 mt -112.62 172.14 7.1 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.531 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.96 129.74 71.82 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.611 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.8 -46.37 2.61 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.742 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.1 12.81 20.82 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 122.199 1.0 . . . . 0.0 109.607 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.553 ' O ' HG21 ' A' ' 14' ' ' VAL . 12.5 tp10 -87.16 77.08 9.14 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.861 -173.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -56.73 -35.23 68.32 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.606 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.89 -18.49 64.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.523 0.678 . . . . 0.0 110.982 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 6.2 t -86.07 -46.4 10.51 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 173.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.553 HG21 ' O ' ' A' ' 10' ' ' GLU . 47.5 t -55.58 -36.63 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.014 0.926 . . . . 0.0 111.622 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -61.17 -24.23 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.055 0.455 . . . . 0.0 112.07 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.58 -41.14 76.21 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.012 0.91 . . . . 0.0 109.009 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.754 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 33.9 m -68.04 -38.85 82.99 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.343 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 77.6 mt -66.3 -32.28 73.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.019 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.63 71.01 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.608 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.08 -22.22 60.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.97 15.06 12.31 Favored Glycine 0 CA--C 1.505 -0.556 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.886 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -73.47 158.98 33.91 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -69.08 -17.92 63.93 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.18 177.27 35.08 Favored Glycine 0 N--CA 1.415 -2.709 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.441 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.754 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -153.52 166.28 31.69 Favored Glycine 0 N--CA 1.406 -3.322 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.678 ' CE3' ' HG2' ' A' ' 37' ' ' ARG . 1.6 p90 -163.85 145.9 9.28 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 t -86.1 131.52 34.24 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 172.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -98.16 -174.08 2.76 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.754 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.5 p -60.7 -25.39 66.37 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -80.64 2.88 23.92 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 68.79 26.25 6.07 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.053 0.941 . . . . 0.0 109.009 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.49 137.03 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.343 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.937 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' HB2' HD11 ' A' ' 2' ' ' ILE . 32.3 m -86.4 123.19 31.36 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.094 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -117.85 137.73 52.58 Favored 'General case' 0 CA--C 1.483 -1.618 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.7 m -116.98 129.74 56.23 Favored 'General case' 0 C--N 1.275 -2.636 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 174.74 -54.38 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 O-C-N 123.909 0.756 . . . . 0.0 109.899 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.678 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 11.7 ptm180 . . . . . 0 N--CA 1.421 -1.9 0 CA-C-O 117.844 -1.074 . . . . 0.0 112.526 -169.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 33' ' ' CYS . 7.6 pt . . . . . 0 N--CA 1.432 -1.325 0 CA-C-O 121.17 0.509 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.8 m -142.99 150.31 39.47 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m -109.96 122.24 47.09 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 121.5 0.667 . . . . 0.0 112.363 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -113.91 -36.67 4.73 Favored 'General case' 0 C--N 1.285 -2.231 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 168.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.85 156.96 20.38 Favored 'General case' 0 N--CA 1.41 -2.473 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.436 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -114.86 121.2 66.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.741 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.55 -43.06 2.5 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.797 -176.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -90.92 12.38 19.72 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 122.446 1.117 . . . . 0.0 109.709 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.489 ' O ' HG22 ' A' ' 14' ' ' VAL . 10.2 tp10 -85.71 68.04 10.26 Favored 'General case' 0 N--CA 1.411 -2.399 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.454 -174.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.404 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 26.5 ttm180 -63.82 -26.82 68.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.494 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.97 -21.55 66.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.408 0.623 . . . . 0.0 109.758 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.9 t -87.97 -43.75 11.52 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-O 121.401 0.62 . . . . 0.0 109.653 173.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 10' ' ' GLU . 50.8 t -53.54 -36.71 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.211 1.004 . . . . 0.0 111.927 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 p -53.71 -32.99 22.07 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.772 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.582 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 63.9 t60 -68.01 -43.67 78.3 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.168 0.509 . . . . 0.0 110.643 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.608 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 59.7 m -65.12 -40.57 94.65 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.625 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.03 -31.99 72.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.223 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.4 -42.04 75.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.582 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 30.5 mtpp -66.43 -27.36 67.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.901 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.99 19.69 7.55 Favored Glycine 0 CA--C 1.498 -0.97 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.505 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -82.56 159.43 22.79 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 122.89 0.476 . . . . 0.0 110.96 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -58.87 -29.05 66.7 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 124.541 1.151 . . . . 0.0 108.682 174.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.63 -169.39 37.09 Favored Glycine 0 N--CA 1.409 -3.118 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.608 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -155.06 171.2 33.3 Favored Glycine 0 N--CA 1.415 -2.732 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -163.26 161.27 24.69 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.3 t -105.39 133.4 50.22 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -97.16 179.93 4.74 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.9 m -59.44 -18.08 36.41 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -80.21 -2.6 45.59 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.015 -0.428 . . . . 0.0 110.829 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp 70.14 29.88 3.65 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.752 0.821 . . . . 0.0 109.425 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -111.71 136.49 47.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.614 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' CB ' HD11 ' A' ' 2' ' ' ILE . 8.1 m -83.29 132.66 35.01 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.994 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -128.27 144.4 51.12 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 81.4 m -116.3 128.48 55.6 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.261 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 34.5 ttm180 171.95 -43.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.316 0.646 . . . . 0.0 110.535 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 CA--C 1.501 -0.918 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.063 -173.05 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.744 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.1 pt . . . . . 0 N--CA 1.441 -0.914 0 CA-C-O 122.292 1.044 . . . . 0.0 112.1 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.6 m -128.81 142.92 50.82 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.4 m -116.31 104.14 11.18 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.404 0.621 . . . . 0.0 112.01 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -93.66 -36.99 12.07 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 173.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.4 mt -111.93 158.95 18.87 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.755 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.439 HD11 ' HA ' ' A' ' 29' ' ' SER . 70.1 mt -106.71 119.06 55.62 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.522 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.61 -41.26 2.1 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 116.158 -0.474 . . . . 0.0 113.7 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -88.93 7.43 34.57 Favored 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 124.302 1.041 . . . . 0.0 109.466 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.525 ' O ' HG22 ' A' ' 14' ' ' VAL . 12.2 tp10 -81.75 75.28 8.7 Favored 'General case' 0 N--CA 1.405 -2.702 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.495 -174.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.43 -34.26 66.64 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 113.502 -1.681 . . . . 0.0 112.064 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.34 -21.67 66.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.075 0.465 . . . . 0.0 110.94 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.4 t -87.67 -47.81 8.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 10' ' ' GLU . 21.3 t -53.63 -43.59 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.48 0.712 . . . . 0.0 111.263 -177.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.05 -31.84 42.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.696 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.477 ' NE2' ' HE2' ' A' ' 20' ' ' LYS . 81.8 t60 -73.41 -41.02 63.82 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.668 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 62.9 m -63.21 -41.42 99.15 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.81 -32.04 73.35 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.236 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.71 -45.27 72.01 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.342 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HE2' ' NE2' ' A' ' 16' ' ' HIS . 60.5 mttm -67.16 -23.86 65.82 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.842 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.04 9.74 11.74 Favored Glycine 0 CA--C 1.493 -1.309 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.405 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -76.07 155.14 35.08 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 122.457 0.303 . . . . 0.0 110.968 178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -69.47 -12.77 61.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 37' ' ' ARG . . . 161.44 -175.0 38.07 Favored Glycine 0 CA--C 1.48 -2.139 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 175.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.668 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -159.5 152.2 23.11 Favored Glycine 0 CA--C 1.481 -2.064 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -146.53 150.25 35.18 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -175.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 97.9 m -90.36 130.61 36.43 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 169.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 2.0 p30 -87.5 -177.0 5.79 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.439 ' HA ' HD11 ' A' ' 7' ' ' ILE . 14.5 t -55.77 -27.74 52.47 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.88 0.872 . . . . 0.0 112.829 -176.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -85.32 7.48 22.13 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.933 -0.479 . . . . 0.0 111.542 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 65.88 34.47 7.22 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.523 0.729 . . . . 0.0 109.554 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 59.6 t -108.77 134.27 51.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.744 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 10.4 m -77.84 126.55 31.02 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 123.611 0.57 . . . . 0.0 110.517 175.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -130.29 139.36 50.74 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.5 m -113.76 129.9 56.52 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.907 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 166.67 -31.57 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.878 1.671 . . . . 0.0 109.454 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.464 ' O ' ' HA3' ' A' ' 24' ' ' GLY . 59.1 mtm180 . . . . . 0 CA--C 1.506 -0.749 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.097 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.767 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 8.5 pt . . . . . 0 N--CA 1.429 -1.489 0 CA-C-O 121.677 0.751 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.7 m -140.47 142.0 35.37 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.4 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 61.4 m -115.38 107.79 15.68 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.625 0.726 . . . . 0.0 112.8 -177.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -93.21 -34.7 13.48 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -109.77 164.48 12.52 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.648 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.0 mt -111.38 114.03 45.94 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.26 -37.98 2.02 Favored Glycine 0 C--N 1.305 -1.178 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.466 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -89.59 10.53 22.71 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 122.542 1.163 . . . . 0.0 109.6 -175.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.52 ' O ' HG21 ' A' ' 14' ' ' VAL . 9.7 tp10 -86.48 76.09 9.65 Favored 'General case' 0 N--CA 1.392 -3.373 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.509 -174.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -56.22 -29.67 61.29 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.56 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.95 -26.66 68.68 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.368 0.604 . . . . 0.0 110.529 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -87.25 -47.01 9.19 Favored 'General case' 0 N--CA 1.422 -1.837 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 10' ' ' GLU . 36.2 t -56.99 -37.88 57.08 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.497 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.62 -27.4 42.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.532 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -70.28 -41.76 72.98 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.84 0.829 . . . . 0.0 109.02 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.692 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 30.7 m -63.66 -45.4 90.32 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.231 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.31 -31.16 71.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.377 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.24 71.99 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.346 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -66.81 -37.52 84.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.846 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.96 29.99 0.91 Allowed Glycine 0 C--N 1.307 -1.061 0 C-N-CA 119.927 -1.13 . . . . 0.0 112.09 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -88.61 159.09 18.04 Favored 'General case' 0 CA--C 1.479 -1.788 0 CA-C-O 120.938 0.399 . . . . 0.0 111.104 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -72.16 -17.47 61.94 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.122 -0.944 . . . . 0.0 108.774 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.63 177.51 34.76 Favored Glycine 0 N--CA 1.417 -2.574 0 C-N-CA 119.936 -1.126 . . . . 0.0 111.483 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.692 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -147.86 167.03 28.82 Favored Glycine 0 N--CA 1.415 -2.722 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.697 ' CE3' ' HG2' ' A' ' 37' ' ' ARG . 3.5 p90 -163.89 154.28 15.31 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 91.8 m -96.45 123.98 40.29 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -82.57 -179.4 7.41 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 m -54.91 -27.65 44.78 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.229 1.012 . . . . 0.0 113.442 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -84.35 4.66 30.24 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.319 -0.238 . . . . 0.0 111.184 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 70.28 24.44 4.79 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.623 0.769 . . . . 0.0 111.24 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 61.6 t -97.21 134.42 35.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.526 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.767 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 5.8 m -80.1 122.97 27.44 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.99 176.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -128.69 134.53 48.52 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.5 m -116.69 130.07 56.51 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 174.74 -61.36 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.404 0 O-C-N 123.873 0.733 . . . . 0.0 110.115 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.697 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 11.7 ptm180 . . . . . 0 C--O 1.253 1.239 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.494 -170.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.679 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 7.2 pt . . . . . 0 N--CA 1.435 -1.191 0 CA-C-O 122.019 0.914 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.2 m -136.12 153.15 51.38 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.424 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 63.4 m -121.96 99.28 6.36 Favored 'General case' 0 N--CA 1.422 -1.853 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.476 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -84.9 -35.86 21.86 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.5 mt -110.32 150.74 28.32 Favored 'General case' 0 N--CA 1.41 -2.437 0 CA-C-N 114.014 -1.448 . . . . 0.0 107.648 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.5 mt -102.88 117.72 48.7 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.64 -42.6 3.06 Favored Glycine 0 C--N 1.309 -0.953 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.604 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -89.14 10.88 20.29 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 122.278 1.037 . . . . 0.0 109.433 -175.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.7 tp10 -86.22 78.06 9.42 Favored 'General case' 0 N--CA 1.396 -3.165 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.963 -172.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.91 -21.46 63.4 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.782 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.19 -24.4 63.12 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 109.54 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.55 -48.09 8.2 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.211 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.7 t -54.74 -37.85 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.771 0.828 . . . . 0.0 111.804 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -57.06 -30.16 33.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.734 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.474 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 80.8 t60 -67.33 -44.35 79.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.283 0.563 . . . . 0.0 109.582 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.575 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 34.0 m -65.9 -40.55 91.61 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.602 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.38 -31.44 69.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.81 -40.66 68.98 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.309 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.9 mtpp -71.07 -28.01 64.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.433 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.26 20.98 5.37 Favored Glycine 0 CA--C 1.499 -0.959 0 C-N-CA 119.569 -1.3 . . . . 0.0 112.745 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -79.24 169.2 18.48 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 120.935 0.398 . . . . 0.0 111.024 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 6.4 tpm_? -75.69 -20.02 58.7 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.69 -171.88 37.75 Favored Glycine 0 N--CA 1.422 -2.269 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.746 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.575 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -153.32 165.88 31.47 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -177.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.454 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 5.9 p90 -163.47 153.65 15.59 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 76.3 m -92.5 134.31 35.09 Favored 'General case' 0 C--N 1.278 -2.509 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 170.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.31 -177.78 5.2 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 p -62.04 -21.06 64.6 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -83.7 6.94 19.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.031 -0.418 . . . . 0.0 110.538 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt 68.69 19.62 8.46 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.382 0.673 . . . . 0.0 110.944 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.1 t -95.66 136.92 25.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.679 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.0 m -80.0 118.17 21.49 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.254 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -117.86 139.98 50.35 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.63 125.99 53.59 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 121.362 -0.135 . . . . 0.0 110.66 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 32.2 ttm180 173.95 -54.62 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 124.848 1.259 . . . . 0.0 110.364 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 123.016 0.527 . . . . 0.0 112.003 -173.359 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.454 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 9.3 pt . . . . . 0 N--CA 1.446 -0.652 0 CA-C-O 121.894 0.854 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -134.53 157.01 47.64 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.5 m -123.1 91.15 3.43 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.679 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -87.15 -35.26 18.72 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 176.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.07 170.1 16.15 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 114.228 -1.351 . . . . 0.0 107.42 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mt -117.77 132.95 66.08 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.144 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.42 -47.26 3.79 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-O 121.425 0.458 . . . . 0.0 112.094 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -91.46 7.65 40.17 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 122.043 0.925 . . . . 0.0 109.437 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.5 tp10 -83.31 73.22 10.15 Favored 'General case' 0 N--CA 1.413 -2.303 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.371 -175.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -61.43 -30.53 70.63 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 113.438 -1.71 . . . . 0.0 111.808 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.85 -18.46 62.71 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.091 0.472 . . . . 0.0 111.107 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.421 ' CB ' ' HG3' ' A' ' 10' ' ' GLU . 15.2 t -83.86 -48.34 10.14 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 173.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 10' ' ' GLU . 28.6 t -55.92 -39.41 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.353 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.17 -28.06 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.035 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.51 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 45.3 t60 -67.73 -42.89 81.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.53 0.681 . . . . 0.0 109.185 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.585 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 60.6 m -66.13 -37.51 85.89 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.021 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.66 -32.03 71.58 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.478 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.81 -35.8 70.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.999 0.428 . . . . 0.0 110.179 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 31.0 mtpp -70.33 -33.72 71.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.018 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.82 32.17 2.53 Favored Glycine 0 C--N 1.312 -0.798 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -98.95 157.66 16.17 Favored 'General case' 0 CA--C 1.488 -1.432 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.75 -22.91 67.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.26 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.56 176.47 33.69 Favored Glycine 0 CA--C 1.487 -1.715 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.671 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.585 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -146.41 160.27 28.16 Favored Glycine 0 N--CA 1.421 -2.351 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.436 ' CH2' ' HG2' ' A' ' 37' ' ' ARG . 7.3 p90 -160.69 151.31 18.35 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.9 m -84.88 135.23 34.16 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -98.95 -176.25 3.28 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 m -59.64 -20.32 55.25 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -84.9 3.21 39.17 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.032 -0.418 . . . . 0.0 111.488 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 71.03 14.91 6.73 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.494 1.118 . . . . 0.0 110.437 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -94.58 133.85 34.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.1 m -84.98 127.43 34.19 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.826 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -123.98 148.46 46.94 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.7 m -115.83 122.62 45.95 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.436 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 78.1 ttt180 176.26 -53.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.685 0.394 . . . . 0.0 110.307 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.436 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 30.3 mmm180 . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 118.839 -0.6 . . . . 0.0 112.067 -171.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.722 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 9.2 pt . . . . . 0 N--CA 1.433 -1.295 0 CA-C-O 121.506 0.67 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m -139.37 135.47 33.74 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.2 m -103.52 112.12 24.88 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.806 0.812 . . . . 0.0 112.944 -177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -97.23 -49.06 5.1 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -106.32 162.9 13.27 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.89 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.4 mt -105.08 125.62 60.11 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.924 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.39 -44.77 1.98 Allowed Glycine 0 CA--C 1.533 1.218 0 N-CA-C 114.152 0.421 . . . . 0.0 114.152 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -97.76 19.46 13.64 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-O 121.952 0.882 . . . . 0.0 110.437 -172.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.564 ' O ' HG22 ' A' ' 14' ' ' VAL . 14.3 tp10 -85.46 75.59 10.17 Favored 'General case' 0 N--CA 1.396 -3.164 0 CA-C-O 122.483 1.135 . . . . 0.0 110.054 -176.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -55.35 -34.23 64.08 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 113.568 -1.651 . . . . 0.0 112.395 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.4 -21.42 65.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.761 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -88.03 -49.17 7.22 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 10' ' ' GLU . 44.0 t -51.59 -40.18 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.351 1.061 . . . . 0.0 112.61 -176.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 p -52.19 -31.6 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 122.978 0.511 . . . . 0.0 112.098 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.579 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 71.7 t60 -68.27 -44.87 74.6 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 121.157 0.503 . . . . 0.0 110.309 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.582 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 55.6 m -67.76 -36.04 79.79 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.312 0.577 . . . . 0.0 109.906 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.12 -30.86 70.11 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.79 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.39 -38.21 65.7 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.565 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.579 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.3 mtpp -70.12 -26.24 63.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 110.709 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.66 24.92 6.79 Favored Glycine 0 CA--C 1.503 -0.685 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.576 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -86.09 165.25 16.76 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.108 0.563 . . . . 0.0 111.921 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -60.79 -28.11 68.51 Favored 'General case' 0 CA--C 1.502 -0.888 0 O-C-N 124.017 0.823 . . . . 0.0 109.352 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.25 -175.69 37.85 Favored Glycine 0 N--CA 1.401 -3.659 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.582 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -143.48 165.31 27.16 Favored Glycine 0 N--CA 1.406 -3.317 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -161.37 150.49 16.31 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.8 m -90.89 122.12 33.32 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 168.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.43 ' CG ' ' H ' ' A' ' 29' ' ' SER . 13.7 t70 -78.32 179.87 6.69 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.43 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 43.2 t -66.38 -30.54 70.94 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -75.8 5.06 6.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.189 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 64.95 25.89 12.74 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.849 1.26 . . . . 0.0 111.323 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -100.07 131.98 46.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.063 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.722 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 1.5 m -78.62 110.66 13.94 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 124.295 0.997 . . . . 0.0 109.812 174.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -118.76 145.55 45.49 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.56 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 85.8 m -115.46 121.37 42.52 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 77.4 ttt180 172.68 -42.35 0.01 OUTLIER 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.026 0.829 . . . . 0.0 110.467 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.463 -174.522 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.54 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 pt . . . . . 0 N--CA 1.44 -0.943 0 CA-C-O 122.284 1.04 . . . . 0.0 112.213 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.9 m -144.01 145.36 32.16 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.9 m -105.08 98.85 8.5 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -93.77 -35.68 12.65 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 94.4 mt -118.37 148.05 42.91 Favored 'General case' 0 N--CA 1.425 -1.719 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 174.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.442 ' N ' HD11 ' A' ' 7' ' ' ILE . 3.1 mp -95.47 115.61 34.93 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.751 0 CA-C-O 121.214 0.53 . . . . 0.0 109.792 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.19 -38.42 2.22 Favored Glycine 0 C--N 1.303 -1.27 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.604 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.57 6.24 24.58 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 122.565 1.174 . . . . 0.0 109.137 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 14.4 tp10 -81.89 72.53 8.94 Favored 'General case' 0 N--CA 1.405 -2.716 0 CA-C-N 113.572 -1.649 . . . . 0.0 109.771 -175.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -59.46 -30.97 68.89 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.305 -1.316 . . . . 0.0 112.165 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.04 -19.13 65.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.04 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' CB ' ' HG3' ' A' ' 10' ' ' GLU . 15.7 t -86.34 -50.76 6.68 Favored 'General case' 0 N--CA 1.435 -1.195 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.469 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 21.6 t -55.02 -39.84 51.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.374 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.02 -27.6 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -70.79 -40.6 72.45 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.737 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 24.9 m -65.93 -43.43 88.11 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.095 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 84.3 mt -65.32 -31.76 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.439 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.89 -43.91 74.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.144 0.497 . . . . 0.0 110.119 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -69.85 -18.55 63.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.063 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.61 9.61 20.89 Favored Glycine 0 CA--C 1.491 -1.435 0 C-N-CA 119.954 -1.117 . . . . 0.0 112.357 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -75.23 159.54 31.43 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 122.801 0.44 . . . . 0.0 110.924 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -73.74 -23.81 59.8 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.32 171.18 28.14 Favored Glycine 0 C--O 1.279 2.965 0 C-N-CA 118.268 -1.92 . . . . 0.0 114.686 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.737 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -139.89 153.61 23.33 Favored Glycine 0 N--CA 1.405 -3.425 0 CA-C-N 112.607 -1.796 . . . . 0.0 110.359 -175.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.572 ' CZ3' ' HG2' ' A' ' 37' ' ' ARG . 8.6 p90 -152.89 154.35 34.9 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 81.2 m -86.65 122.21 30.24 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -86.23 -172.74 4.21 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 p -59.49 -24.41 63.58 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 -88.3 5.61 41.06 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.454 0.301 . . . . 0.0 110.977 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 67.37 26.2 8.49 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.967 0.907 . . . . 0.0 110.774 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 61.4 t -101.2 134.39 41.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.243 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.54 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 8.4 m -78.62 118.87 21.13 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.218 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.419 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 17.3 m-80 -116.29 133.31 56.16 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -115.02 121.62 43.68 Favored 'General case' 0 C--N 1.275 -2.635 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 173.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 177.18 -22.55 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 119.595 -0.842 . . . . 0.0 112.214 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 14.3 ptm180 . . . . . 0 N--CA 1.423 -1.793 0 CA-C-O 117.191 -1.385 . . . . 0.0 110.997 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 pt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 121.009 0.433 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m -137.47 145.18 42.77 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -175.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.6 m -108.28 121.78 45.61 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 120.88 0.371 . . . . 0.0 110.797 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -98.92 -45.83 5.84 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 173.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -106.51 169.47 8.5 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.629 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.5 mt -113.9 131.62 65.28 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.47 -36.6 0.98 Allowed Glycine 0 CA--C 1.537 1.428 0 N-CA-C 114.664 0.626 . . . . 0.0 114.664 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -103.72 13.15 33.7 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 121.677 0.751 . . . . 0.0 110.738 -173.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.477 ' O ' HG21 ' A' ' 14' ' ' VAL . 14.9 tp10 -86.54 65.62 9.12 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-O 122.263 1.03 . . . . 0.0 110.729 -175.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 40.4 ttm180 -64.07 -25.5 68.13 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.114 -176.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.7 -23.97 67.42 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.8 t -88.01 -39.66 14.49 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.442 173.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 25' ' ' GLY . 50.1 t -54.59 -35.2 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.014 0.926 . . . . 0.0 111.599 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 p -55.43 -32.29 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.554 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -65.8 -43.39 88.82 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.576 0.703 . . . . 0.0 110.046 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.734 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 26.1 m -66.27 -40.09 89.89 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.61 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -69.39 -31.75 70.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.424 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.58 69.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.31 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -74.51 -28.67 61.09 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.048 0.451 . . . . 0.0 110.935 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.11 24.53 6.84 Favored Glycine 0 N--CA 1.431 -1.692 0 C-N-CA 119.932 -1.128 . . . . 0.0 111.78 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -82.42 162.37 22.15 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 123.012 0.525 . . . . 0.0 109.777 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.515 ' HB2' ' OXT' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -76.32 -18.87 58.72 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.05 166.26 21.55 Favored Glycine 0 N--CA 1.401 -3.661 0 CA-C-O 122.96 1.311 . . . . 0.0 114.66 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.734 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -140.91 154.17 24.24 Favored Glycine 0 N--CA 1.396 -3.99 0 CA-C-N 112.266 -1.967 . . . . 0.0 108.671 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 4.7 p90 -162.29 151.19 15.22 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 81.2 m -87.68 123.25 32.32 Favored 'General case' 0 C--N 1.28 -2.414 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -91.26 -174.49 3.96 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -60.09 -22.85 63.26 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -84.06 3.97 32.22 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.123 -0.361 . . . . 0.0 111.183 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 68.89 22.9 6.96 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.603 0.761 . . . . 0.0 110.528 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.6 t -98.57 132.94 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.283 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.677 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.4 m -76.57 116.67 17.46 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.577 171.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.53 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 19.2 m-80 -118.54 112.69 20.21 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.3 m -97.75 114.05 25.96 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 103.735 -2.691 . . . . 0.0 103.735 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -165.67 -38.53 0.03 OUTLIER 'General case' 0 CA--C 1.492 -1.27 0 C-N-CA 117.441 -1.703 . . . . 0.0 111.868 -170.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.515 ' OXT' ' HB2' ' A' ' 23' ' ' ARG . 16.9 ptt180 . . . . . 0 C--N 1.294 -1.844 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.601 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.6 pt . . . . . 0 N--CA 1.44 -0.965 0 CA-C-O 121.694 0.759 . . . . 0.0 111.643 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.7 m -142.97 144.5 32.36 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.7 m -121.5 113.56 20.0 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.576 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -109.12 -28.69 8.92 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 173.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.1 mt -112.24 168.33 9.71 Favored 'General case' 0 N--CA 1.405 -2.687 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -127.66 119.02 50.76 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.501 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.15 -38.41 2.73 Favored Glycine 0 C--O 1.221 -0.704 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -89.6 0.56 56.85 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 122.525 1.155 . . . . 0.0 107.945 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' HG22 ' A' ' 14' ' ' VAL . 11.0 tp10 -84.26 67.09 9.66 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.268 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 16.3 tpp180 -66.35 -23.29 66.32 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.452 -174.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.3 -24.29 67.25 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.621 176.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 t -86.98 -47.06 9.27 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.405 ' HB ' ' HD3' ' A' ' 11' ' ' ARG . 26.0 t -57.67 -35.42 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.508 -177.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.09 -25.76 38.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.451 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.463 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 78.5 t60 -69.85 -38.19 76.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.966 0.888 . . . . 0.0 109.135 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.803 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 30.1 m -67.39 -40.23 85.64 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.001 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.72 -31.59 71.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.294 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.59 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.768 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HE3' ' NE2' ' A' ' 16' ' ' HIS . 95.3 mttt -66.67 -38.37 86.68 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.624 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.57 42.76 0.52 Allowed Glycine 0 C--N 1.306 -1.096 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -104.58 162.16 13.5 Favored 'General case' 0 CA--C 1.477 -1.861 0 C-N-CA 122.779 0.432 . . . . 0.0 110.223 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -83.69 -11.17 57.55 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.13 164.97 19.43 Favored Glycine 0 N--CA 1.405 -3.418 0 C-N-CA 119.265 -1.445 . . . . 0.0 113.501 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.803 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.39 154.95 26.07 Favored Glycine 1 N--CA 1.391 -4.33 0 CA-C-N 112.835 -1.683 . . . . 0.0 108.994 -177.254 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.48 ' CH2' ' HG3' ' A' ' 37' ' ' ARG . 5.8 p90 -154.17 155.91 36.2 Favored 'General case' 0 C--N 1.275 -2.64 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -175.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -90.25 126.84 35.97 Favored 'General case' 0 C--N 1.276 -2.593 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 175.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.427 ' OD2' ' HB ' ' A' ' 32' ' ' VAL . 2.3 p30 -84.7 179.08 7.43 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.034 -1.066 . . . . 0.0 108.217 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 m -61.36 -14.52 28.13 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -91.71 5.5 49.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.091 -0.381 . . . . 0.0 110.018 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 70.0 18.31 7.21 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.161 0.984 . . . . 0.0 111.495 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 86.8 t -87.41 132.65 32.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.369 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.601 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 9.2 m -77.97 116.31 18.36 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.562 176.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -117.15 127.54 54.22 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.9 m -112.4 121.41 44.77 Favored 'General case' 0 C--N 1.282 -2.331 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 179.52 -28.77 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.664 -170.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HG3' ' CH2' ' A' ' 26' ' ' TRP . 74.7 mtp180 . . . . . 0 N--CA 1.432 -1.339 0 CA-C-O 119.028 -0.511 . . . . 0.0 109.949 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 pt . . . . . 0 N--CA 1.428 -1.526 0 CA-C-O 121.931 0.872 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.8 m -123.2 144.59 49.27 Favored 'General case' 0 C--N 1.269 -2.902 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.6 m -127.74 82.32 2.08 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-O 121.79 0.805 . . . . 0.0 109.899 175.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -94.13 -30.42 14.65 Favored 'General case' 0 C--N 1.284 -2.276 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 93.6 mt -111.5 147.77 34.6 Favored 'General case' 0 N--CA 1.402 -2.873 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.536 174.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.1 mt -103.18 127.63 56.89 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.061 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.428 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 79.4 -47.73 3.27 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 121.329 -0.462 . . . . 0.0 114.017 -178.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -95.04 19.52 10.31 Favored 'General case' 0 CA--C 1.487 -1.451 0 C-N-CA 124.226 1.01 . . . . 0.0 110.388 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.4 tp10 -90.31 82.39 5.97 Favored 'General case' 1 N--CA 1.378 -4.026 0 CA-C-O 122.426 1.108 . . . . 0.0 112.021 -171.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -56.03 -28.68 58.43 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.258 -1.792 . . . . 0.0 112.413 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.16 -25.63 67.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.503 0.668 . . . . 0.0 110.491 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.4 t -86.82 -45.51 10.82 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 10' ' ' GLU . 46.9 t -51.52 -46.24 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.834 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.08 -26.6 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.91 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.501 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 80.0 t60 -73.43 -40.45 64.21 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.676 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 61.1 m -67.15 -36.11 81.13 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.336 177.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 90.6 mt -69.35 -32.44 71.52 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.13 80.69 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.669 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.501 ' HE3' ' NE2' ' A' ' 16' ' ' HIS . 91.3 mttt -72.36 -37.79 68.72 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.07 52.68 0.31 Allowed Glycine 0 C--N 1.305 -1.15 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.8 163.26 20.56 Favored 'General case' 0 CA--C 1.485 -1.54 0 C-N-CA 123.281 0.632 . . . . 0.0 111.556 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -64.56 -28.89 69.94 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.44 -170.76 37.28 Favored Glycine 0 N--CA 1.417 -2.618 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.676 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -148.57 166.61 29.18 Favored Glycine 0 N--CA 1.416 -2.66 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.394 -176.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.444 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 4.4 p90 -154.22 134.79 13.51 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 88.8 m -80.12 127.04 31.85 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 169.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -92.84 -171.4 2.71 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -60.77 -25.45 66.53 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 123.749 0.82 . . . . 0.0 112.416 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -76.31 -6.56 52.06 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.285 -0.259 . . . . 0.0 111.074 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 69.68 26.95 4.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.08 0.952 . . . . 0.0 110.225 -176.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 92.9 t -99.69 137.06 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.108 177.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.58 114.69 17.72 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -114.08 142.6 46.0 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.87 124.85 51.68 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 12.8 ttp180 169.96 -42.51 0.0 OUTLIER 'General case' 0 C--N 1.355 0.826 0 C-N-CA 125.462 1.505 . . . . 0.0 110.429 177.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 118.942 -0.552 . . . . 0.0 110.775 -175.695 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 N--CA 1.43 -1.443 0 CA-C-O 121.406 0.622 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.6 m -143.3 162.24 36.2 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -137.29 94.95 3.0 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 118.498 0.59 . . . . 0.0 111.525 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -103.17 -34.6 8.78 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 170.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 91.1 mt -107.16 146.23 31.59 Favored 'General case' 0 N--CA 1.41 -2.445 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.023 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.9 mt -97.73 127.77 49.74 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.147 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 -42.68 1.85 Allowed Glycine 0 CA--C 1.536 1.369 0 N-CA-C 115.145 0.818 . . . . 0.0 115.145 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -97.28 14.33 26.44 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 122.724 1.25 . . . . 0.0 109.877 -174.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.5 tp10 -83.54 85.52 7.24 Favored 'General case' 0 N--CA 1.386 -3.668 0 CA-C-N 114.189 -1.369 . . . . 0.0 111.225 -174.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -50.49 -30.95 13.99 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.161 -1.836 . . . . 0.0 113.194 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.46 -24.79 67.74 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 121.598 0.714 . . . . 0.0 110.857 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -87.14 -49.36 7.35 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.762 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 10' ' ' GLU . 21.6 t -52.3 -46.85 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.515 -177.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -60.77 -29.98 46.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.871 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -69.55 -43.26 73.33 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.734 0.778 . . . . 0.0 109.393 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.652 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 58.8 m -70.59 -36.24 73.45 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.118 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.78 -32.8 74.32 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.8 -34.01 66.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.3 0.572 . . . . 0.0 110.485 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -76.51 -24.78 53.73 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.561 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.84 25.03 4.68 Favored Glycine 0 C--N 1.315 -0.637 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.627 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -97.07 159.89 14.65 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 122.482 0.313 . . . . 0.0 110.723 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -56.21 -28.95 60.17 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 123.829 0.706 . . . . 0.0 110.055 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.23 -177.17 37.67 Favored Glycine 0 N--CA 1.403 -3.513 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.652 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -142.04 154.91 25.23 Favored Glycine 0 N--CA 1.405 -3.398 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.467 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 5.6 p90 -143.37 135.48 26.9 Favored 'General case' 0 C--N 1.274 -2.692 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 -177.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.596 ' SG ' ' HA ' ' A' ' 31' ' ' LYS . 53.7 t -83.81 123.38 29.83 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 172.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -89.66 -175.21 4.59 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.18 -175.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -59.11 -25.33 63.73 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.971 0.908 . . . . 0.0 112.283 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -80.03 -3.82 50.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.929 0.491 . . . . 0.0 110.889 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.596 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 34.7 mmtp 67.49 35.7 4.1 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.53 1.132 . . . . 0.0 110.391 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 98.2 t -108.73 136.31 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 CA-C-N 114.467 -1.242 . . . . 0.0 107.773 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.8 t -79.17 112.82 16.77 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -110.88 144.37 40.04 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 64.1 m -114.99 126.14 54.41 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.895 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 71.6 ttt180 169.15 -37.17 0.0 OUTLIER 'General case' 0 C--N 1.361 1.078 0 C-N-CA 124.7 1.2 . . . . 0.0 110.053 177.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 . . . . . 0 CA--C 1.492 -1.286 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -175.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.672 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 7.9 pt . . . . . 0 N--CA 1.423 -1.799 0 CA-C-O 121.938 0.875 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 m -137.38 151.95 49.13 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.5 m -121.65 104.74 9.83 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 120.503 -0.479 . . . . 0.0 112.138 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -98.08 -34.32 10.82 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -120.41 157.99 28.12 Favored 'General case' 0 N--CA 1.423 -1.811 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.347 173.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.7 mm -95.67 125.48 48.43 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.784 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.78 -41.49 1.03 Allowed Glycine 0 CA--C 1.535 1.291 0 CA-C-N 115.21 -0.905 . . . . 0.0 114.699 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -89.39 8.43 30.77 Favored 'General case' 0 CA--C 1.486 -1.483 0 CA-C-O 122.159 0.98 . . . . 0.0 110.281 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.3 tp10 -82.45 78.23 9.13 Favored 'General case' 0 N--CA 1.396 -3.136 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.145 -178.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -56.78 -34.01 67.21 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.156 -1.838 . . . . 0.0 112.891 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.18 -19.59 65.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.362 0.601 . . . . 0.0 110.793 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -87.01 -48.57 7.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 10' ' ' GLU . 35.4 t -56.6 -37.5 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.636 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.35 -26.48 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 120.89 0.376 . . . . 0.0 111.717 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -67.69 -42.76 81.55 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.031 0.92 . . . . 0.0 108.951 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.638 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 25.1 m -68.43 -39.76 81.43 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.549 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 77.2 mt -68.32 -32.12 72.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.52 -43.94 65.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.31 -36.87 82.38 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.039 0.447 . . . . 0.0 111.733 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.1 49.0 0.31 Allowed Glycine 0 N--CA 1.435 -1.414 0 C-N-CA 120.007 -1.092 . . . . 0.0 111.762 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -108.23 165.0 11.82 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 122.695 0.398 . . . . 0.0 110.991 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -65.39 -28.57 69.36 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 172.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -169.76 36.92 Favored Glycine 0 N--CA 1.417 -2.611 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.734 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.638 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -152.27 165.67 30.9 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -177.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -160.03 150.39 18.63 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 121.137 0.494 . . . . 0.0 109.883 -177.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 84.0 m -88.52 127.62 35.54 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 169.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -91.35 -178.04 5.02 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.4 t -60.84 -23.15 64.89 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -80.25 -1.49 40.92 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 122.1 -0.375 . . . . 0.0 111.083 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 74.6 21.65 2.19 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.702 1.201 . . . . 0.0 110.325 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 58.5 t -97.22 138.37 22.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.71 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.672 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 m -82.37 117.06 22.15 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.973 175.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -119.31 139.42 51.98 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 63.0 m -115.9 129.54 56.45 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 17.7 ttm180 172.28 -47.73 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.955 0.784 . . . . 0.0 109.792 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 . . . . . 0 C--N 1.306 -1.291 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.811 -172.019 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.523 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.3 pt . . . . . 0 N--CA 1.445 -0.692 0 CA-C-O 121.624 0.726 . . . . 0.0 112.708 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.2 m -143.87 134.56 25.03 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.9 m -108.64 103.34 12.42 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.186 0.517 . . . . 0.0 111.968 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.0 -34.57 10.04 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -116.42 157.72 24.66 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.126 -1.397 . . . . 0.0 108.401 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.16 124.9 64.77 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.06 -44.17 2.57 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.748 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -92.39 16.58 11.46 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-O 122.13 0.967 . . . . 0.0 109.628 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.544 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.6 tp10 -88.2 76.46 8.44 Favored 'General case' 0 N--CA 1.392 -3.356 0 CA-C-O 122.233 1.016 . . . . 0.0 111.713 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -57.62 -31.64 66.44 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 113.978 -1.464 . . . . 0.0 112.599 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.68 -22.2 66.61 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.506 0.67 . . . . 0.0 110.283 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -87.39 -47.9 8.41 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 10' ' ' GLU . 38.1 t -53.59 -41.54 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.31 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -59.73 -28.86 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 122.75 0.42 . . . . 0.0 111.933 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.405 ' CE1' ' HE3' ' A' ' 20' ' ' LYS . 83.2 t60 -67.01 -42.07 85.57 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-O 122.1 0.953 . . . . 0.0 108.873 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.784 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 29.6 m -70.8 -34.23 71.54 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.717 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 76.6 mt -71.29 -31.8 67.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.268 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.87 -35.04 62.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.489 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HE3' ' CE1' ' A' ' 16' ' ' HIS . 92.7 mttt -71.1 -36.33 72.14 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.158 0.504 . . . . 0.0 111.281 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.24 52.13 0.74 Allowed Glycine 0 N--CA 1.43 -1.753 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -109.63 158.47 18.02 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.391 0.615 . . . . 0.0 111.779 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -62.83 -24.01 67.56 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.935 -1.484 . . . . 0.0 109.067 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.69 166.51 20.58 Favored Glycine 0 N--CA 1.415 -2.748 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.839 176.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.784 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.21 158.51 27.48 Favored Glycine 0 N--CA 1.413 -2.869 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 37' ' ' ARG . 7.4 p90 -163.62 152.77 14.35 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 117.07 0.435 . . . . 0.0 109.956 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.408 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 87.1 m -85.63 117.75 24.71 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 168.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -82.44 -176.3 6.15 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -64.82 -18.69 65.35 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 123.605 0.762 . . . . 0.0 111.75 -174.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.34 10.88 23.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.299 -0.251 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 64.99 29.02 12.43 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.872 0.869 . . . . 0.0 110.527 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.73 132.72 60.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.526 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.523 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 14.0 m -79.98 124.13 28.42 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 124.122 0.889 . . . . 0.0 111.452 176.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -123.85 136.94 54.69 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.6 m -115.97 110.33 18.8 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -163.3 -51.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.65 0.738 . . . . 0.0 110.162 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HG3' ' CH2' ' A' ' 26' ' ' TRP . 77.8 mtp180 . . . . . 0 CA--C 1.496 -1.103 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.89 -169.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.721 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 4.9 pt . . . . . 0 N--CA 1.433 -1.314 0 CA-C-O 121.205 0.526 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.7 m -139.87 146.66 39.58 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.1 m -120.22 106.36 11.85 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.087 0.47 . . . . 0.0 111.583 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -95.32 -33.28 12.6 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 174.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.14 157.0 19.18 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.858 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 74.4 mt -107.73 119.14 56.81 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.551 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.7 -39.47 1.76 Allowed Glycine 0 CA--C 1.525 0.669 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.51 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -92.98 10.48 31.17 Favored 'General case' 0 CA--C 1.493 -1.232 0 C-N-CA 124.107 0.963 . . . . 0.0 110.251 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.464 ' O ' HG21 ' A' ' 14' ' ' VAL . 12.9 tp10 -84.73 74.59 10.43 Favored 'General case' 0 N--CA 1.404 -2.755 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.418 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -56.71 -33.75 66.8 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 113.699 -1.591 . . . . 0.0 112.209 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.34 -24.3 67.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.199 0.523 . . . . 0.0 110.321 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 t -87.53 -44.8 11.01 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.834 176.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 10' ' ' GLU . 45.0 t -54.91 -41.07 55.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 C-N-CA 123.478 0.711 . . . . 0.0 111.475 -178.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -60.03 -29.16 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.481 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.521 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 72.4 t60 -69.19 -42.32 75.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.297 0.57 . . . . 0.0 109.493 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.729 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 38.4 m -63.58 -42.3 98.31 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.177 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 75.6 mt -68.06 -31.85 71.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.734 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.89 78.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.6 mtpp -70.76 -27.29 63.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.124 178.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.59 30.87 3.63 Favored Glycine 0 CA--C 1.5 -0.844 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.852 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -84.77 162.99 19.39 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -73.95 -19.06 60.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.209 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.16 164.95 18.22 Favored Glycine 0 N--CA 1.418 -2.559 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.069 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.729 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.63 154.31 25.72 Favored Glycine 0 N--CA 1.419 -2.463 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.527 ' CZ3' ' HG2' ' A' ' 37' ' ' ARG . 1.3 p90 -162.54 142.49 9.56 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.285 0.564 . . . . 0.0 109.985 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 91.3 m -85.02 123.21 30.3 Favored 'General case' 0 C--N 1.285 -2.216 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 170.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -90.84 -171.44 3.02 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 119.031 -1.068 . . . . 0.0 109.66 -177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -57.54 -20.91 34.94 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.139 0.975 . . . . 0.0 111.934 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -76.24 -7.22 54.39 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.527 0.731 . . . . 0.0 111.943 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 67.54 23.36 8.95 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.73 0.776 . . . . 0.0 109.478 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 69.5 t -110.42 139.89 31.9 Favored 'Isoleucine or valine' 0 C--O 1.261 1.673 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.952 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.721 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 13.8 m -74.84 120.82 20.91 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 124.81 1.319 . . . . 0.0 110.79 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -119.72 127.4 52.82 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.0 m -116.34 123.41 47.55 Favored 'General case' 0 C--N 1.28 -2.447 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 178.18 -48.1 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.054 0.388 . . . . 0.0 111.869 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.527 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 14.3 ptm180 . . . . . 0 C--N 1.31 -1.15 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.467 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 13.8 pt . . . . . 0 N--CA 1.448 -0.549 0 CA-C-O 121.685 0.755 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.9 m -135.5 155.28 50.77 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -175.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.451 ' HB2' ' HE2' ' A' ' 31' ' ' LYS . 68.4 m -113.3 92.53 4.03 Favored 'General case' 0 N--CA 1.417 -2.114 0 CA-C-O 121.665 0.745 . . . . 0.0 111.671 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -88.73 -35.5 16.68 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -115.98 162.39 17.44 Favored 'General case' 0 N--CA 1.409 -2.484 0 CA-C-N 114.244 -1.344 . . . . 0.0 107.843 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.19 119.56 61.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.292 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.51 -37.96 1.86 Allowed Glycine 0 N--CA 1.473 1.123 0 CA-C-O 121.523 0.513 . . . . 0.0 113.302 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -88.31 2.13 53.1 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.465 ' O ' HG22 ' A' ' 14' ' ' VAL . 11.4 tp10 -79.49 67.88 5.36 Favored 'General case' 0 N--CA 1.424 -1.775 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.412 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -66.96 -23.7 65.98 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.247 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.53 -23.28 65.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.207 0.527 . . . . 0.0 109.989 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.7 t -86.91 -46.99 9.37 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 10' ' ' GLU . 22.5 t -51.93 -45.03 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.453 0.701 . . . . 0.0 111.251 -178.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.51 -31.31 43.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.077 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.499 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 72.9 t60 -64.39 -43.78 93.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.509 0.671 . . . . 0.0 109.404 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.704 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 60.2 m -69.85 -38.48 76.47 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.073 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.29 -32.16 73.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.876 0.369 . . . . 0.0 110.279 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.36 -35.24 58.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.965 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 30.5 mtpp -72.71 -29.54 63.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.62 0.248 . . . . 0.0 111.506 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.66 39.7 0.65 Allowed Glycine 0 CA--C 1.5 -0.874 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.583 178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -117.73 156.39 28.35 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 123.496 0.718 . . . . 0.0 110.417 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -76.9 -13.9 59.93 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.46 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.35 158.43 9.59 Favored Glycine 0 N--CA 1.416 -2.666 0 C-N-CA 118.695 -1.717 . . . . 0.0 114.601 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.704 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -130.2 149.13 18.83 Favored Glycine 0 N--CA 1.403 -3.543 0 CA-C-N 112.937 -1.631 . . . . 0.0 109.073 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -149.37 164.34 35.2 Favored 'General case' 0 C--N 1.274 -2.688 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.6 m -97.5 120.13 37.31 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.409 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.46 -179.99 3.22 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.473 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -68.88 -9.79 53.51 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 122.097 0.951 . . . . 0.0 110.737 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -83.2 -4.29 58.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.119 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' A' ' 4' ' ' CYS . 13.4 mmmm 66.27 26.12 10.42 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.226 1.01 . . . . 0.0 111.944 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 t -111.05 138.01 41.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.467 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 14.1 m -73.44 133.77 43.79 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 124.558 1.161 . . . . 0.0 110.876 173.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -136.5 149.46 48.18 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 57.7 m -115.45 121.46 42.81 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 36.6 ttp180 173.63 -16.51 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.371 0.42 . . . . 0.0 111.682 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 . . . . . 0 C--N 1.318 -0.804 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.291 -177.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 pt . . . . . 0 N--CA 1.427 -1.582 0 CA-C-O 121.129 0.49 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.4 m -133.46 145.23 50.03 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.408 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 65.0 m -134.31 89.17 2.53 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.84 -34.93 15.08 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -113.53 146.04 40.28 Favored 'General case' 0 N--CA 1.416 -2.143 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.279 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.2 mt -85.83 125.69 40.56 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.035 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 171.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.478 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 72.95 -44.66 1.05 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 177.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -84.31 -5.32 59.25 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 123.796 0.838 . . . . 0.0 110.011 -171.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.3 tp10 -72.18 84.68 1.03 Allowed 'General case' 0 N--CA 1.403 -2.815 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.74 -175.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -52.14 -32.96 38.06 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 112.4 -2.182 . . . . 0.0 111.643 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.93 -19.12 63.4 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 t -86.79 -44.26 11.88 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.514 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 24.6 t -53.7 -47.99 61.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.836 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.82 -26.83 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.979 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -71.56 -44.08 65.19 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.791 0.805 . . . . 0.0 108.925 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.646 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 53.5 m -69.14 -34.24 74.69 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.752 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 86.7 mt -70.09 -31.54 69.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.406 177.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.13 77.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.316 . . . . 0.0 110.507 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -70.15 -33.4 71.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.23 43.19 0.79 Allowed Glycine 0 C--N 1.304 -1.209 0 C-N-CA 120.094 -1.051 . . . . 0.0 111.401 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -108.31 167.19 10.2 Favored 'General case' 0 C--N 1.29 -2.016 0 C-N-CA 123.503 0.721 . . . . 0.0 110.362 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.52 -31.0 72.03 Favored 'General case' 0 CA--C 1.502 -0.866 0 O-C-N 124.001 0.813 . . . . 0.0 109.039 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.33 -171.05 37.25 Favored Glycine 0 N--CA 1.416 -2.661 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.646 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -149.72 160.25 28.41 Favored Glycine 0 N--CA 1.409 -3.12 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -175.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.478 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.9 p90 -154.69 134.26 12.73 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-O 121.235 0.541 . . . . 0.0 109.629 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.66 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 73.6 m -79.28 124.83 28.75 Favored 'General case' 0 C--N 1.284 -2.268 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 170.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -88.05 -170.22 2.89 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.177 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 m -62.83 -19.77 64.41 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -82.76 -3.85 57.13 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 66.61 30.57 8.28 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.368 1.067 . . . . 0.0 111.091 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.66 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 96.1 t -98.8 134.38 37.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.0 t -76.94 111.34 12.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -109.55 142.84 40.06 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.5 m -115.59 129.83 56.65 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 170.32 -44.8 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.433 1.093 . . . . 0.0 109.503 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 N--CA 1.435 -1.197 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.937 -169.734 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.6 pt . . . . . 0 N--CA 1.445 -0.688 0 CA-C-O 121.476 0.655 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 m -143.24 154.33 43.72 Favored 'General case' 0 C--N 1.287 -2.129 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.8 m -128.94 93.95 3.72 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-O 121.613 0.721 . . . . 0.0 109.96 173.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.76 -30.92 11.45 Favored 'General case' 0 C--N 1.279 -2.485 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 172.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 85.7 mt -117.32 155.15 30.03 Favored 'General case' 0 N--CA 1.402 -2.837 0 CA-C-N 113.545 -1.661 . . . . 0.0 107.891 175.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.6 mt -113.08 129.82 68.07 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 80.62 -54.93 4.67 Favored Glycine 0 C--N 1.303 -1.299 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.869 -176.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -90.02 21.09 3.84 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 125.838 1.655 . . . . 0.0 109.099 -172.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' HG21 ' A' ' 14' ' ' VAL . 9.4 tp10 -85.3 85.45 7.45 Favored 'General case' 0 N--CA 1.382 -3.84 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.502 -168.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -53.63 -29.48 38.26 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 112.909 -1.951 . . . . 0.0 113.182 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.59 -20.0 61.38 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.54 0.686 . . . . 0.0 110.334 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 t -87.86 -44.58 10.97 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.57 HG21 ' O ' ' A' ' 10' ' ' GLU . 47.8 t -54.63 -39.15 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.644 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.8 -30.47 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -69.58 -39.15 77.5 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.673 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 35.2 m -70.42 -39.36 74.48 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.313 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 95.5 mt -66.43 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.597 0.237 . . . . 0.0 110.365 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.79 -44.08 64.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.54 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -70.57 -23.39 62.59 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.27 46.41 1.71 Allowed Glycine 0 C--N 1.309 -0.96 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.727 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -107.07 164.07 12.46 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 123.028 0.531 . . . . 0.0 111.074 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.61 -19.68 62.09 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.071 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.93 -174.77 37.59 Favored Glycine 0 N--CA 1.418 -2.538 0 C-N-CA 120.198 -1.001 . . . . 0.0 111.314 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.673 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -150.91 170.06 30.68 Favored Glycine 0 N--CA 1.412 -2.954 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.438 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.2 p90 -163.48 143.59 8.71 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 31' ' ' LYS . 45.1 t -90.2 128.36 36.35 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 174.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -92.09 -175.45 4.08 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.585 -176.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 p -65.01 -19.98 66.27 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -82.75 -2.98 55.86 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 122.186 -0.321 . . . . 0.0 110.341 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 35.3 mmtp 73.15 29.56 1.72 Allowed 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.612 1.165 . . . . 0.0 110.497 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -102.08 132.95 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.217 178.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.0 t -78.73 118.92 21.26 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -118.8 141.93 48.18 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m -115.66 128.04 55.62 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 39.9 ttm180 174.01 -48.2 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.83 0.852 . . . . 0.0 109.634 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.487 -173.817 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.699 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 15.6 pt . . . . . 0 N--CA 1.432 -1.365 0 CA-C-O 121.898 0.856 . . . . 0.0 112.116 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.0 m -144.25 139.83 28.88 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.456 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 62.7 m -114.85 110.14 19.22 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -99.84 -37.79 8.91 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.2 mt -108.98 159.82 16.52 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.379 175.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -105.46 120.66 56.55 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 CA-C-N 114.462 -1.245 . . . . 0.0 107.64 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.98 -38.09 1.52 Allowed Glycine 0 CA--C 1.536 1.363 0 N-CA-C 114.54 0.576 . . . . 0.0 114.54 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -94.0 7.59 44.51 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.011 0.91 . . . . 0.0 110.483 -174.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.1 tp10 -84.44 77.29 10.04 Favored 'General case' 0 N--CA 1.407 -2.614 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.981 -175.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.41 -29.89 66.43 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.567 -177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.06 -21.64 66.38 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.318 0.58 . . . . 0.0 110.531 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 t -87.79 -49.47 7.09 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.185 173.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 10' ' ' GLU . 42.0 t -54.89 -39.34 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.455 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.15 -29.81 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.149 0.579 . . . . 0.0 111.876 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -64.7 -41.93 95.67 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.74 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 39.3 m -72.11 -39.14 69.08 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.895 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 75.6 mt -67.47 -31.43 71.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.24 -43.19 61.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.434 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -64.1 -29.15 70.3 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.55 54.36 0.69 Allowed Glycine 0 CA--C 1.493 -1.341 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -115.95 157.0 25.23 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.805 -0.698 . . . . 0.0 110.812 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -73.84 -14.02 61.02 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.976 0.798 . . . . 0.0 108.946 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.4 154.39 7.43 Favored Glycine 0 N--CA 1.409 -3.161 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.692 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.74 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -131.12 162.15 23.57 Favored Glycine 0 N--CA 1.412 -2.905 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 178.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.516 ' CH2' ' HG2' ' A' ' 37' ' ' ARG . 5.7 p90 -162.22 149.02 13.53 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 117.65 0.725 . . . . 0.0 110.729 -176.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 89.6 m -87.36 122.07 30.64 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 169.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -87.46 -178.54 6.17 Favored 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 119.635 -0.826 . . . . 0.0 108.787 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 t -58.37 -24.36 59.65 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -82.69 2.91 31.29 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.922 -0.486 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 70.4 24.52 4.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.65 1.18 . . . . 0.0 110.597 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.0 t -97.47 136.77 27.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.422 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.699 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 19.7 m -86.87 112.09 21.41 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.709 175.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -115.6 138.28 51.22 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 52.2 m -115.82 118.24 32.46 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 40.3 ttm180 173.97 -12.81 0.0 OUTLIER 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.491 0.494 . . . . 0.0 112.035 -176.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.516 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 26.2 mmm180 . . . . . 0 CA--C 1.5 -0.943 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.024 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.933 0 N-CA-C 111.611 -0.596 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.531 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 8.0 pt -67.82 117.56 9.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 CA-C-O 122.041 0.924 . . . . 0.0 111.599 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -124.05 151.77 43.43 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.3 -173.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.1 m -119.55 98.84 6.32 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.073 0.463 . . . . 0.0 111.369 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -90.63 -34.83 15.3 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.8 mt -104.83 148.84 26.2 Favored 'General case' 0 N--CA 1.395 -3.222 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.7 mt -108.64 113.93 45.36 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.037 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.55 -40.22 2.85 Favored Glycine 0 C--O 1.216 -1.012 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.044 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -87.03 8.06 25.06 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 122.264 1.031 . . . . 0.0 109.394 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' O ' HG21 ' A' ' 14' ' ' VAL . 11.5 tp10 -83.77 70.31 10.34 Favored 'General case' 0 N--CA 1.416 -2.152 0 CA-C-N 113.936 -1.484 . . . . 0.0 110.527 -173.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.49 -30.32 69.64 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.335 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.87 -23.78 67.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 t -87.99 -45.77 9.92 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 10' ' ' GLU . 46.4 t -51.97 -42.19 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 123.598 0.759 . . . . 0.0 111.725 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.89 -31.44 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.537 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -66.4 -41.98 88.52 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.544 0.688 . . . . 0.0 109.451 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.572 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 55.9 m -65.04 -42.89 93.9 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.446 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.13 -32.47 72.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.079 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.51 81.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.988 0.423 . . . . 0.0 110.283 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -69.68 -33.47 72.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.993 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.46 19.47 4.19 Favored Glycine 0 C--N 1.31 -0.906 0 C-N-CA 120.026 -1.083 . . . . 0.0 112.252 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -81.24 159.7 24.47 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 122.382 0.273 . . . . 0.0 110.317 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.48 -27.86 68.88 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.74 -172.92 38.02 Favored Glycine 0 N--CA 1.417 -2.609 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.572 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -149.34 165.02 29.42 Favored Glycine 0 N--CA 1.414 -2.826 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -177.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -159.53 153.0 22.49 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 92.8 m -96.58 128.6 43.67 Favored 'General case' 0 C--N 1.281 -2.371 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 173.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.74 -175.63 4.45 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.994 -0.682 . . . . 0.0 109.973 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -57.99 -25.43 61.03 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 123.432 0.693 . . . . 0.0 112.652 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -79.1 0.12 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.088 -0.382 . . . . 0.0 111.742 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt 69.65 22.25 6.28 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.552 0.741 . . . . 0.0 110.416 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 59.0 t -102.58 140.19 21.59 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.569 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.531 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.2 m -75.38 121.68 22.63 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.518 174.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -124.79 137.27 54.32 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 55.8 m -115.8 130.14 56.72 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 35.2 ttm180 172.36 -39.45 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.916 0.76 . . . . 0.0 109.797 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 . . . . . 0 C--N 1.314 -0.975 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.649 -173.794 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.06 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.421 HD11 ' HB2' ' A' ' 33' ' ' CYS . 14.5 pt -66.28 133.75 30.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 121.587 0.708 . . . . 0.0 112.781 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.6 m -145.14 148.33 33.47 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.0 m -115.77 110.11 18.62 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.423 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -95.76 -47.11 6.31 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 171.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.7 mt -112.62 172.14 7.1 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.531 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.96 129.74 71.82 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.611 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.8 -46.37 2.61 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.742 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.1 12.81 20.82 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 122.199 1.0 . . . . 0.0 109.607 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.553 ' O ' HG21 ' A' ' 14' ' ' VAL . 12.5 tp10 -87.16 77.08 9.14 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.861 -173.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -56.73 -35.23 68.32 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.606 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.89 -18.49 64.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.523 0.678 . . . . 0.0 110.982 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 6.2 t -86.07 -46.4 10.51 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 173.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.553 HG21 ' O ' ' A' ' 10' ' ' GLU . 47.5 t -55.58 -36.63 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.014 0.926 . . . . 0.0 111.622 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -61.17 -24.23 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.055 0.455 . . . . 0.0 112.07 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.58 -41.14 76.21 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.012 0.91 . . . . 0.0 109.009 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.754 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 33.9 m -68.04 -38.85 82.99 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.343 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 77.6 mt -66.3 -32.28 73.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.019 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.63 71.01 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.608 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.08 -22.22 60.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.97 15.06 12.31 Favored Glycine 0 CA--C 1.505 -0.556 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.886 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -73.47 158.98 33.91 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -69.08 -17.92 63.93 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.18 177.27 35.08 Favored Glycine 0 N--CA 1.415 -2.709 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.441 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.754 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -153.52 166.28 31.69 Favored Glycine 0 N--CA 1.406 -3.322 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.678 ' CE3' ' HG2' ' A' ' 37' ' ' ARG . 1.6 p90 -163.85 145.9 9.28 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 t -86.1 131.52 34.24 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 172.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -98.16 -174.08 2.76 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.754 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.5 p -60.7 -25.39 66.37 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -80.64 2.88 23.92 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 68.79 26.25 6.07 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.053 0.941 . . . . 0.0 109.009 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.49 137.03 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.343 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.937 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' HB2' HD11 ' A' ' 2' ' ' ILE . 32.3 m -86.4 123.19 31.36 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.094 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -117.85 137.73 52.58 Favored 'General case' 0 CA--C 1.483 -1.618 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.7 m -116.98 129.74 56.23 Favored 'General case' 0 C--N 1.275 -2.636 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 174.74 -54.38 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 O-C-N 123.909 0.756 . . . . 0.0 109.899 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.678 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 11.7 ptm180 . . . . . 0 N--CA 1.421 -1.9 0 CA-C-O 117.844 -1.074 . . . . 0.0 112.526 -169.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.179 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 33' ' ' CYS . 7.6 pt -92.69 135.21 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.325 0 CA-C-O 121.17 0.509 . . . . 0.0 110.554 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.8 m -142.99 150.31 39.47 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m -109.96 122.24 47.09 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 121.5 0.667 . . . . 0.0 112.363 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -113.91 -36.67 4.73 Favored 'General case' 0 C--N 1.285 -2.231 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 168.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.85 156.96 20.38 Favored 'General case' 0 N--CA 1.41 -2.473 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.436 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -114.86 121.2 66.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.741 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.55 -43.06 2.5 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.797 -176.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -90.92 12.38 19.72 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 122.446 1.117 . . . . 0.0 109.709 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' O ' HG22 ' A' ' 14' ' ' VAL . 10.2 tp10 -85.71 68.04 10.26 Favored 'General case' 0 N--CA 1.411 -2.399 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.454 -174.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.404 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 26.5 ttm180 -63.82 -26.82 68.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.494 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.97 -21.55 66.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.408 0.623 . . . . 0.0 109.758 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.9 t -87.97 -43.75 11.52 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-O 121.401 0.62 . . . . 0.0 109.653 173.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 10' ' ' GLU . 50.8 t -53.54 -36.71 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.211 1.004 . . . . 0.0 111.927 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 p -53.71 -32.99 22.07 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.772 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 63.9 t60 -68.01 -43.67 78.3 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.168 0.509 . . . . 0.0 110.643 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.608 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 59.7 m -65.12 -40.57 94.65 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.625 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.03 -31.99 72.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.223 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.4 -42.04 75.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.582 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 30.5 mtpp -66.43 -27.36 67.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.901 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.99 19.69 7.55 Favored Glycine 0 CA--C 1.498 -0.97 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.505 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -82.56 159.43 22.79 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 122.89 0.476 . . . . 0.0 110.96 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -58.87 -29.05 66.7 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 124.541 1.151 . . . . 0.0 108.682 174.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.63 -169.39 37.09 Favored Glycine 0 N--CA 1.409 -3.118 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.608 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -155.06 171.2 33.3 Favored Glycine 0 N--CA 1.415 -2.732 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -163.26 161.27 24.69 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.3 t -105.39 133.4 50.22 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -97.16 179.93 4.74 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.9 m -59.44 -18.08 36.41 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -80.21 -2.6 45.59 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.015 -0.428 . . . . 0.0 110.829 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp 70.14 29.88 3.65 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.752 0.821 . . . . 0.0 109.425 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -111.71 136.49 47.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.614 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' CB ' HD11 ' A' ' 2' ' ' ILE . 8.1 m -83.29 132.66 35.01 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.994 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -128.27 144.4 51.12 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 81.4 m -116.3 128.48 55.6 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.261 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 34.5 ttm180 171.95 -43.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.316 0.646 . . . . 0.0 110.535 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 CA--C 1.501 -0.918 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.063 -173.05 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.218 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.744 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.1 pt -62.16 118.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 122.292 1.044 . . . . 0.0 112.1 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.6 m -128.81 142.92 50.82 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.4 m -116.31 104.14 11.18 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.404 0.621 . . . . 0.0 112.01 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -93.66 -36.99 12.07 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 173.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.4 mt -111.93 158.95 18.87 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.755 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.439 HD11 ' HA ' ' A' ' 29' ' ' SER . 70.1 mt -106.71 119.06 55.62 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.522 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.61 -41.26 2.1 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 116.158 -0.474 . . . . 0.0 113.7 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -88.93 7.43 34.57 Favored 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 124.302 1.041 . . . . 0.0 109.466 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.525 ' O ' HG22 ' A' ' 14' ' ' VAL . 12.2 tp10 -81.75 75.28 8.7 Favored 'General case' 0 N--CA 1.405 -2.702 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.495 -174.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.43 -34.26 66.64 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 113.502 -1.681 . . . . 0.0 112.064 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.34 -21.67 66.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.075 0.465 . . . . 0.0 110.94 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.4 t -87.67 -47.81 8.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 10' ' ' GLU . 21.3 t -53.63 -43.59 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.48 0.712 . . . . 0.0 111.263 -177.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.05 -31.84 42.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.696 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.477 ' NE2' ' HE2' ' A' ' 20' ' ' LYS . 81.8 t60 -73.41 -41.02 63.82 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.668 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 62.9 m -63.21 -41.42 99.15 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.81 -32.04 73.35 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.236 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.71 -45.27 72.01 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.342 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HE2' ' NE2' ' A' ' 16' ' ' HIS . 60.5 mttm -67.16 -23.86 65.82 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.842 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.04 9.74 11.74 Favored Glycine 0 CA--C 1.493 -1.309 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.405 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -76.07 155.14 35.08 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 122.457 0.303 . . . . 0.0 110.968 178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -69.47 -12.77 61.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 37' ' ' ARG . . . 161.44 -175.0 38.07 Favored Glycine 0 CA--C 1.48 -2.139 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 175.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.668 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -159.5 152.2 23.11 Favored Glycine 0 CA--C 1.481 -2.064 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -146.53 150.25 35.18 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -175.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 97.9 m -90.36 130.61 36.43 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 169.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 2.0 p30 -87.5 -177.0 5.79 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.439 ' HA ' HD11 ' A' ' 7' ' ' ILE . 14.5 t -55.77 -27.74 52.47 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.88 0.872 . . . . 0.0 112.829 -176.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -85.32 7.48 22.13 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.933 -0.479 . . . . 0.0 111.542 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 65.88 34.47 7.22 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.523 0.729 . . . . 0.0 109.554 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 59.6 t -108.77 134.27 51.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.744 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 10.4 m -77.84 126.55 31.02 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 123.611 0.57 . . . . 0.0 110.517 175.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -130.29 139.36 50.74 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 59.5 m -113.76 129.9 56.52 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.907 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 166.67 -31.57 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.878 1.671 . . . . 0.0 109.454 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.464 ' O ' ' HA3' ' A' ' 24' ' ' GLY . 59.1 mtm180 . . . . . 0 CA--C 1.506 -0.749 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.097 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.63 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.767 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 8.5 pt -92.48 120.13 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 121.677 0.751 . . . . 0.0 111.261 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.7 m -140.47 142.0 35.37 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.4 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 61.4 m -115.38 107.79 15.68 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.625 0.726 . . . . 0.0 112.8 -177.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -93.21 -34.7 13.48 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -109.77 164.48 12.52 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.648 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.0 mt -111.38 114.03 45.94 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.26 -37.98 2.02 Favored Glycine 0 C--N 1.305 -1.178 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.466 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -89.59 10.53 22.71 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 122.542 1.163 . . . . 0.0 109.6 -175.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.52 ' O ' HG21 ' A' ' 14' ' ' VAL . 9.7 tp10 -86.48 76.09 9.65 Favored 'General case' 0 N--CA 1.392 -3.373 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.509 -174.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -56.22 -29.67 61.29 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.56 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.95 -26.66 68.68 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.368 0.604 . . . . 0.0 110.529 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -87.25 -47.01 9.19 Favored 'General case' 0 N--CA 1.422 -1.837 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 10' ' ' GLU . 36.2 t -56.99 -37.88 57.08 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.497 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.62 -27.4 42.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.532 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -70.28 -41.76 72.98 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.84 0.829 . . . . 0.0 109.02 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.692 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 30.7 m -63.66 -45.4 90.32 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.231 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.31 -31.16 71.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.377 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.24 71.99 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.346 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -66.81 -37.52 84.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.846 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.96 29.99 0.91 Allowed Glycine 0 C--N 1.307 -1.061 0 C-N-CA 119.927 -1.13 . . . . 0.0 112.09 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -88.61 159.09 18.04 Favored 'General case' 0 CA--C 1.479 -1.788 0 CA-C-O 120.938 0.399 . . . . 0.0 111.104 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -72.16 -17.47 61.94 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.122 -0.944 . . . . 0.0 108.774 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.63 177.51 34.76 Favored Glycine 0 N--CA 1.417 -2.574 0 C-N-CA 119.936 -1.126 . . . . 0.0 111.483 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.692 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -147.86 167.03 28.82 Favored Glycine 0 N--CA 1.415 -2.722 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.697 ' CE3' ' HG2' ' A' ' 37' ' ' ARG . 3.5 p90 -163.89 154.28 15.31 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 91.8 m -96.45 123.98 40.29 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -82.57 -179.4 7.41 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 m -54.91 -27.65 44.78 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.229 1.012 . . . . 0.0 113.442 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -84.35 4.66 30.24 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.319 -0.238 . . . . 0.0 111.184 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 70.28 24.44 4.79 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.623 0.769 . . . . 0.0 111.24 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 61.6 t -97.21 134.42 35.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.526 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.767 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 5.8 m -80.1 122.97 27.44 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.99 176.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -128.69 134.53 48.52 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.5 m -116.69 130.07 56.51 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 174.74 -61.36 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.404 0 O-C-N 123.873 0.733 . . . . 0.0 110.115 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.697 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 11.7 ptm180 . . . . . 0 C--O 1.253 1.239 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.494 -170.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.479 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.679 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 7.2 pt -92.4 117.92 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.191 0 CA-C-O 122.019 0.914 . . . . 0.0 110.966 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.2 m -136.12 153.15 51.38 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.424 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 63.4 m -121.96 99.28 6.36 Favored 'General case' 0 N--CA 1.422 -1.853 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.476 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -84.9 -35.86 21.86 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.5 mt -110.32 150.74 28.32 Favored 'General case' 0 N--CA 1.41 -2.437 0 CA-C-N 114.014 -1.448 . . . . 0.0 107.648 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.5 mt -102.88 117.72 48.7 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.64 -42.6 3.06 Favored Glycine 0 C--N 1.309 -0.953 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.604 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -89.14 10.88 20.29 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 122.278 1.037 . . . . 0.0 109.433 -175.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.7 tp10 -86.22 78.06 9.42 Favored 'General case' 0 N--CA 1.396 -3.165 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.963 -172.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.91 -21.46 63.4 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.782 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.19 -24.4 63.12 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 109.54 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.55 -48.09 8.2 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.211 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.7 t -54.74 -37.85 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.771 0.828 . . . . 0.0 111.804 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -57.06 -30.16 33.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.734 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.474 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 80.8 t60 -67.33 -44.35 79.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.283 0.563 . . . . 0.0 109.582 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.575 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 34.0 m -65.9 -40.55 91.61 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.602 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.38 -31.44 69.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.81 -40.66 68.98 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.309 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.9 mtpp -71.07 -28.01 64.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.433 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.26 20.98 5.37 Favored Glycine 0 CA--C 1.499 -0.959 0 C-N-CA 119.569 -1.3 . . . . 0.0 112.745 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -79.24 169.2 18.48 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 120.935 0.398 . . . . 0.0 111.024 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 6.4 tpm_? -75.69 -20.02 58.7 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.69 -171.88 37.75 Favored Glycine 0 N--CA 1.422 -2.269 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.746 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.575 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -153.32 165.88 31.47 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -177.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.454 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 5.9 p90 -163.47 153.65 15.59 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 76.3 m -92.5 134.31 35.09 Favored 'General case' 0 C--N 1.278 -2.509 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 170.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.31 -177.78 5.2 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 p -62.04 -21.06 64.6 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -83.7 6.94 19.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.031 -0.418 . . . . 0.0 110.538 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt 68.69 19.62 8.46 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.382 0.673 . . . . 0.0 110.944 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.1 t -95.66 136.92 25.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.679 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.0 m -80.0 118.17 21.49 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.254 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -117.86 139.98 50.35 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.63 125.99 53.59 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 121.362 -0.135 . . . . 0.0 110.66 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 32.2 ttm180 173.95 -54.62 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 124.848 1.259 . . . . 0.0 110.364 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 123.016 0.527 . . . . 0.0 112.003 -173.359 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.158 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.454 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 9.3 pt -64.33 117.99 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-O 121.894 0.854 . . . . 0.0 111.858 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -134.53 157.01 47.64 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.5 m -123.1 91.15 3.43 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.679 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -87.15 -35.26 18.72 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 176.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.7 mt -134.07 170.1 16.15 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 114.228 -1.351 . . . . 0.0 107.42 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mt -117.77 132.95 66.08 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.144 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.42 -47.26 3.79 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-O 121.425 0.458 . . . . 0.0 112.094 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -91.46 7.65 40.17 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 122.043 0.925 . . . . 0.0 109.437 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.5 tp10 -83.31 73.22 10.15 Favored 'General case' 0 N--CA 1.413 -2.303 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.371 -175.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -61.43 -30.53 70.63 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 113.438 -1.71 . . . . 0.0 111.808 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.85 -18.46 62.71 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.091 0.472 . . . . 0.0 111.107 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' CB ' ' HG3' ' A' ' 10' ' ' GLU . 15.2 t -83.86 -48.34 10.14 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 173.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 10' ' ' GLU . 28.6 t -55.92 -39.41 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.353 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.17 -28.06 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.035 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.51 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 45.3 t60 -67.73 -42.89 81.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.53 0.681 . . . . 0.0 109.185 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.585 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 60.6 m -66.13 -37.51 85.89 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.021 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.66 -32.03 71.58 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.478 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.81 -35.8 70.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.999 0.428 . . . . 0.0 110.179 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.51 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 31.0 mtpp -70.33 -33.72 71.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.018 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.82 32.17 2.53 Favored Glycine 0 C--N 1.312 -0.798 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -98.95 157.66 16.17 Favored 'General case' 0 CA--C 1.488 -1.432 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.75 -22.91 67.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.26 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.56 176.47 33.69 Favored Glycine 0 CA--C 1.487 -1.715 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.671 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.585 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -146.41 160.27 28.16 Favored Glycine 0 N--CA 1.421 -2.351 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.436 ' CH2' ' HG2' ' A' ' 37' ' ' ARG . 7.3 p90 -160.69 151.31 18.35 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.9 m -84.88 135.23 34.16 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -98.95 -176.25 3.28 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 m -59.64 -20.32 55.25 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -84.9 3.21 39.17 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.032 -0.418 . . . . 0.0 111.488 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 71.03 14.91 6.73 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.494 1.118 . . . . 0.0 110.437 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -94.58 133.85 34.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.454 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.1 m -84.98 127.43 34.19 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.826 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -123.98 148.46 46.94 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.7 m -115.83 122.62 45.95 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.436 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 78.1 ttt180 176.26 -53.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.685 0.394 . . . . 0.0 110.307 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.436 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 30.3 mmm180 . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 118.839 -0.6 . . . . 0.0 112.067 -171.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.866 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.722 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 9.2 pt -74.06 121.78 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 CA-C-O 121.506 0.67 . . . . 0.0 110.677 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m -139.37 135.47 33.74 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.2 m -103.52 112.12 24.88 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.806 0.812 . . . . 0.0 112.944 -177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -97.23 -49.06 5.1 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -106.32 162.9 13.27 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.89 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.4 mt -105.08 125.62 60.11 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.924 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.39 -44.77 1.98 Allowed Glycine 0 CA--C 1.533 1.218 0 N-CA-C 114.152 0.421 . . . . 0.0 114.152 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -97.76 19.46 13.64 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-O 121.952 0.882 . . . . 0.0 110.437 -172.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.564 ' O ' HG22 ' A' ' 14' ' ' VAL . 14.3 tp10 -85.46 75.59 10.17 Favored 'General case' 0 N--CA 1.396 -3.164 0 CA-C-O 122.483 1.135 . . . . 0.0 110.054 -176.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -55.35 -34.23 64.08 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 113.568 -1.651 . . . . 0.0 112.395 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.4 -21.42 65.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.761 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -88.03 -49.17 7.22 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 10' ' ' GLU . 44.0 t -51.59 -40.18 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.351 1.061 . . . . 0.0 112.61 -176.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 p -52.19 -31.6 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 122.978 0.511 . . . . 0.0 112.098 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.579 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 71.7 t60 -68.27 -44.87 74.6 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 121.157 0.503 . . . . 0.0 110.309 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.582 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 55.6 m -67.76 -36.04 79.79 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.312 0.577 . . . . 0.0 109.906 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.12 -30.86 70.11 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.79 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.39 -38.21 65.7 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.565 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.579 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.3 mtpp -70.12 -26.24 63.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 110.709 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.66 24.92 6.79 Favored Glycine 0 CA--C 1.503 -0.685 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.576 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -86.09 165.25 16.76 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.108 0.563 . . . . 0.0 111.921 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -60.79 -28.11 68.51 Favored 'General case' 0 CA--C 1.502 -0.888 0 O-C-N 124.017 0.823 . . . . 0.0 109.352 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.25 -175.69 37.85 Favored Glycine 0 N--CA 1.401 -3.659 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.582 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -143.48 165.31 27.16 Favored Glycine 0 N--CA 1.406 -3.317 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -161.37 150.49 16.31 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.8 m -90.89 122.12 33.32 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 168.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' CG ' ' H ' ' A' ' 29' ' ' SER . 13.7 t70 -78.32 179.87 6.69 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.43 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 43.2 t -66.38 -30.54 70.94 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -75.8 5.06 6.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.189 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 64.95 25.89 12.74 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.849 1.26 . . . . 0.0 111.323 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -100.07 131.98 46.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.063 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.722 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 1.5 m -78.62 110.66 13.94 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 124.295 0.997 . . . . 0.0 109.812 174.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -118.76 145.55 45.49 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.56 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 85.8 m -115.46 121.37 42.52 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 77.4 ttt180 172.68 -42.35 0.01 OUTLIER 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.026 0.829 . . . . 0.0 110.467 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.463 -174.522 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.038 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.54 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 pt -82.78 116.59 27.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-O 122.284 1.04 . . . . 0.0 112.213 -178.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.9 m -144.01 145.36 32.16 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.9 m -105.08 98.85 8.5 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -93.77 -35.68 12.65 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 94.4 mt -118.37 148.05 42.91 Favored 'General case' 0 N--CA 1.425 -1.719 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 174.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.442 ' N ' HD11 ' A' ' 7' ' ' ILE . 3.1 mp -95.47 115.61 34.93 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.751 0 CA-C-O 121.214 0.53 . . . . 0.0 109.792 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.19 -38.42 2.22 Favored Glycine 0 C--N 1.303 -1.27 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.604 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.57 6.24 24.58 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 122.565 1.174 . . . . 0.0 109.137 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 14.4 tp10 -81.89 72.53 8.94 Favored 'General case' 0 N--CA 1.405 -2.716 0 CA-C-N 113.572 -1.649 . . . . 0.0 109.771 -175.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -59.46 -30.97 68.89 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.305 -1.316 . . . . 0.0 112.165 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.04 -19.13 65.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.04 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' CB ' ' HG3' ' A' ' 10' ' ' GLU . 15.7 t -86.34 -50.76 6.68 Favored 'General case' 0 N--CA 1.435 -1.195 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.469 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 21.6 t -55.02 -39.84 51.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.374 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.02 -27.6 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -70.79 -40.6 72.45 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.737 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 24.9 m -65.93 -43.43 88.11 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.095 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 84.3 mt -65.32 -31.76 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.439 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.89 -43.91 74.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.144 0.497 . . . . 0.0 110.119 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -69.85 -18.55 63.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.063 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.61 9.61 20.89 Favored Glycine 0 CA--C 1.491 -1.435 0 C-N-CA 119.954 -1.117 . . . . 0.0 112.357 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -75.23 159.54 31.43 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 122.801 0.44 . . . . 0.0 110.924 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -73.74 -23.81 59.8 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.32 171.18 28.14 Favored Glycine 0 C--O 1.279 2.965 0 C-N-CA 118.268 -1.92 . . . . 0.0 114.686 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.737 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -139.89 153.61 23.33 Favored Glycine 0 N--CA 1.405 -3.425 0 CA-C-N 112.607 -1.796 . . . . 0.0 110.359 -175.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.572 ' CZ3' ' HG2' ' A' ' 37' ' ' ARG . 8.6 p90 -152.89 154.35 34.9 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 81.2 m -86.65 122.21 30.24 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -86.23 -172.74 4.21 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 p -59.49 -24.41 63.58 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 -88.3 5.61 41.06 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.454 0.301 . . . . 0.0 110.977 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 67.37 26.2 8.49 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.967 0.907 . . . . 0.0 110.774 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 61.4 t -101.2 134.39 41.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.243 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.54 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 8.4 m -78.62 118.87 21.13 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.218 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.419 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 17.3 m-80 -116.29 133.31 56.16 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 27.2 m -115.02 121.62 43.68 Favored 'General case' 0 C--N 1.275 -2.635 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 173.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 177.18 -22.55 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 119.595 -0.842 . . . . 0.0 112.214 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 14.3 ptm180 . . . . . 0 N--CA 1.423 -1.793 0 CA-C-O 117.191 -1.385 . . . . 0.0 110.997 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.731 0 N-CA-C 112.331 -0.308 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 pt -72.75 145.76 11.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.009 0.433 . . . . 0.0 111.708 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m -137.47 145.18 42.77 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -175.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.6 m -108.28 121.78 45.61 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 120.88 0.371 . . . . 0.0 110.797 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -98.92 -45.83 5.84 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 173.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -106.51 169.47 8.5 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.629 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.5 mt -113.9 131.62 65.28 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.47 -36.6 0.98 Allowed Glycine 0 CA--C 1.537 1.428 0 N-CA-C 114.664 0.626 . . . . 0.0 114.664 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -103.72 13.15 33.7 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 121.677 0.751 . . . . 0.0 110.738 -173.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' O ' HG21 ' A' ' 14' ' ' VAL . 14.9 tp10 -86.54 65.62 9.12 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-O 122.263 1.03 . . . . 0.0 110.729 -175.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 40.4 ttm180 -64.07 -25.5 68.13 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.114 -176.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.7 -23.97 67.42 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.8 t -88.01 -39.66 14.49 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.442 173.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 25' ' ' GLY . 50.1 t -54.59 -35.2 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.014 0.926 . . . . 0.0 111.599 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 p -55.43 -32.29 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.554 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -65.8 -43.39 88.82 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.576 0.703 . . . . 0.0 110.046 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.734 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 26.1 m -66.27 -40.09 89.89 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.61 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -69.39 -31.75 70.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.424 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.58 69.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.31 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -74.51 -28.67 61.09 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.048 0.451 . . . . 0.0 110.935 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.11 24.53 6.84 Favored Glycine 0 N--CA 1.431 -1.692 0 C-N-CA 119.932 -1.128 . . . . 0.0 111.78 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -82.42 162.37 22.15 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 123.012 0.525 . . . . 0.0 109.777 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.515 ' HB2' ' OXT' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -76.32 -18.87 58.72 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.05 166.26 21.55 Favored Glycine 0 N--CA 1.401 -3.661 0 CA-C-O 122.96 1.311 . . . . 0.0 114.66 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.734 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -140.91 154.17 24.24 Favored Glycine 0 N--CA 1.396 -3.99 0 CA-C-N 112.266 -1.967 . . . . 0.0 108.671 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 4.7 p90 -162.29 151.19 15.22 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 81.2 m -87.68 123.25 32.32 Favored 'General case' 0 C--N 1.28 -2.414 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -91.26 -174.49 3.96 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -60.09 -22.85 63.26 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -84.06 3.97 32.22 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.123 -0.361 . . . . 0.0 111.183 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 68.89 22.9 6.96 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.603 0.761 . . . . 0.0 110.528 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.6 t -98.57 132.94 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.283 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.677 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.4 m -76.57 116.67 17.46 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.577 171.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.53 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 19.2 m-80 -118.54 112.69 20.21 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.3 m -97.75 114.05 25.96 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 103.735 -2.691 . . . . 0.0 103.735 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -165.67 -38.53 0.03 OUTLIER 'General case' 0 CA--C 1.492 -1.27 0 C-N-CA 117.441 -1.703 . . . . 0.0 111.868 -170.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.515 ' OXT' ' HB2' ' A' ' 23' ' ' ARG . 16.9 ptt180 . . . . . 0 C--N 1.294 -1.844 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.156 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.601 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.6 pt -69.02 121.59 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 121.694 0.759 . . . . 0.0 111.643 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.7 m -142.97 144.5 32.36 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.7 m -121.5 113.56 20.0 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.576 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -109.12 -28.69 8.92 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 173.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.1 mt -112.24 168.33 9.71 Favored 'General case' 0 N--CA 1.405 -2.687 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -127.66 119.02 50.76 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.501 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.15 -38.41 2.73 Favored Glycine 0 C--O 1.221 -0.704 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -89.6 0.56 56.85 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 122.525 1.155 . . . . 0.0 107.945 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' O ' HG22 ' A' ' 14' ' ' VAL . 11.0 tp10 -84.26 67.09 9.66 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.268 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 16.3 tpp180 -66.35 -23.29 66.32 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.452 -174.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.3 -24.29 67.25 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.621 176.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 t -86.98 -47.06 9.27 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' HB ' ' HD3' ' A' ' 11' ' ' ARG . 26.0 t -57.67 -35.42 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.508 -177.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.09 -25.76 38.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.451 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.463 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 78.5 t60 -69.85 -38.19 76.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.966 0.888 . . . . 0.0 109.135 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.803 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 30.1 m -67.39 -40.23 85.64 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.001 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.72 -31.59 71.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.294 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.59 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.768 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HE3' ' NE2' ' A' ' 16' ' ' HIS . 95.3 mttt -66.67 -38.37 86.68 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.624 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.57 42.76 0.52 Allowed Glycine 0 C--N 1.306 -1.096 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -104.58 162.16 13.5 Favored 'General case' 0 CA--C 1.477 -1.861 0 C-N-CA 122.779 0.432 . . . . 0.0 110.223 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -83.69 -11.17 57.55 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.13 164.97 19.43 Favored Glycine 0 N--CA 1.405 -3.418 0 C-N-CA 119.265 -1.445 . . . . 0.0 113.501 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.803 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.39 154.95 26.07 Favored Glycine 1 N--CA 1.391 -4.33 0 CA-C-N 112.835 -1.683 . . . . 0.0 108.994 -177.254 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.48 ' CH2' ' HG3' ' A' ' 37' ' ' ARG . 5.8 p90 -154.17 155.91 36.2 Favored 'General case' 0 C--N 1.275 -2.64 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -175.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -90.25 126.84 35.97 Favored 'General case' 0 C--N 1.276 -2.593 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 175.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.427 ' OD2' ' HB ' ' A' ' 32' ' ' VAL . 2.3 p30 -84.7 179.08 7.43 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.034 -1.066 . . . . 0.0 108.217 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 m -61.36 -14.52 28.13 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -91.71 5.5 49.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.091 -0.381 . . . . 0.0 110.018 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 70.0 18.31 7.21 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.161 0.984 . . . . 0.0 111.495 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 86.8 t -87.41 132.65 32.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.369 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.601 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 9.2 m -77.97 116.31 18.36 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.562 176.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -117.15 127.54 54.22 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.9 m -112.4 121.41 44.77 Favored 'General case' 0 C--N 1.282 -2.331 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 179.52 -28.77 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.664 -170.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HG3' ' CH2' ' A' ' 26' ' ' TRP . 74.7 mtp180 . . . . . 0 N--CA 1.432 -1.339 0 CA-C-O 119.028 -0.511 . . . . 0.0 109.949 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.966 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 pt -66.9 122.85 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 CA-C-O 121.931 0.872 . . . . 0.0 111.558 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.8 m -123.2 144.59 49.27 Favored 'General case' 0 C--N 1.269 -2.902 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.6 m -127.74 82.32 2.08 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-O 121.79 0.805 . . . . 0.0 109.899 175.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -94.13 -30.42 14.65 Favored 'General case' 0 C--N 1.284 -2.276 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 93.6 mt -111.5 147.77 34.6 Favored 'General case' 0 N--CA 1.402 -2.873 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.536 174.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.1 mt -103.18 127.63 56.89 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.061 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 79.4 -47.73 3.27 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 121.329 -0.462 . . . . 0.0 114.017 -178.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -95.04 19.52 10.31 Favored 'General case' 0 CA--C 1.487 -1.451 0 C-N-CA 124.226 1.01 . . . . 0.0 110.388 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.4 tp10 -90.31 82.39 5.97 Favored 'General case' 1 N--CA 1.378 -4.026 0 CA-C-O 122.426 1.108 . . . . 0.0 112.021 -171.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -56.03 -28.68 58.43 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.258 -1.792 . . . . 0.0 112.413 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.16 -25.63 67.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.503 0.668 . . . . 0.0 110.491 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.4 t -86.82 -45.51 10.82 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 10' ' ' GLU . 46.9 t -51.52 -46.24 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.834 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.08 -26.6 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.91 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.501 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 80.0 t60 -73.43 -40.45 64.21 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.676 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 61.1 m -67.15 -36.11 81.13 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.336 177.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 90.6 mt -69.35 -32.44 71.52 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.13 80.69 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.669 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.501 ' HE3' ' NE2' ' A' ' 16' ' ' HIS . 91.3 mttt -72.36 -37.79 68.72 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.07 52.68 0.31 Allowed Glycine 0 C--N 1.305 -1.15 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.8 163.26 20.56 Favored 'General case' 0 CA--C 1.485 -1.54 0 C-N-CA 123.281 0.632 . . . . 0.0 111.556 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -64.56 -28.89 69.94 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.44 -170.76 37.28 Favored Glycine 0 N--CA 1.417 -2.618 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.676 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -148.57 166.61 29.18 Favored Glycine 0 N--CA 1.416 -2.66 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.394 -176.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.444 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 4.4 p90 -154.22 134.79 13.51 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 88.8 m -80.12 127.04 31.85 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 169.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -92.84 -171.4 2.71 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -60.77 -25.45 66.53 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 123.749 0.82 . . . . 0.0 112.416 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -76.31 -6.56 52.06 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.285 -0.259 . . . . 0.0 111.074 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 69.68 26.95 4.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.08 0.952 . . . . 0.0 110.225 -176.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 92.9 t -99.69 137.06 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.108 177.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.58 114.69 17.72 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -114.08 142.6 46.0 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.87 124.85 51.68 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 12.8 ttp180 169.96 -42.51 0.0 OUTLIER 'General case' 0 C--N 1.355 0.826 0 C-N-CA 125.462 1.505 . . . . 0.0 110.429 177.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 118.942 -0.552 . . . . 0.0 110.775 -175.695 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.244 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 pt -72.96 134.76 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-O 121.406 0.622 . . . . 0.0 111.349 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.6 m -143.3 162.24 36.2 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -137.29 94.95 3.0 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 118.498 0.59 . . . . 0.0 111.525 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -103.17 -34.6 8.78 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 170.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 91.1 mt -107.16 146.23 31.59 Favored 'General case' 0 N--CA 1.41 -2.445 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.023 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.9 mt -97.73 127.77 49.74 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.147 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 -42.68 1.85 Allowed Glycine 0 CA--C 1.536 1.369 0 N-CA-C 115.145 0.818 . . . . 0.0 115.145 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -97.28 14.33 26.44 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 122.724 1.25 . . . . 0.0 109.877 -174.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.5 tp10 -83.54 85.52 7.24 Favored 'General case' 0 N--CA 1.386 -3.668 0 CA-C-N 114.189 -1.369 . . . . 0.0 111.225 -174.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -50.49 -30.95 13.99 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.161 -1.836 . . . . 0.0 113.194 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.46 -24.79 67.74 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 121.598 0.714 . . . . 0.0 110.857 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -87.14 -49.36 7.35 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.762 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 10' ' ' GLU . 21.6 t -52.3 -46.85 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.515 -177.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -60.77 -29.98 46.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.871 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -69.55 -43.26 73.33 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.734 0.778 . . . . 0.0 109.393 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.652 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 58.8 m -70.59 -36.24 73.45 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.118 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.78 -32.8 74.32 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.8 -34.01 66.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.3 0.572 . . . . 0.0 110.485 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -76.51 -24.78 53.73 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.561 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.84 25.03 4.68 Favored Glycine 0 C--N 1.315 -0.637 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.627 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -97.07 159.89 14.65 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 122.482 0.313 . . . . 0.0 110.723 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -56.21 -28.95 60.17 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 123.829 0.706 . . . . 0.0 110.055 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.23 -177.17 37.67 Favored Glycine 0 N--CA 1.403 -3.513 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.652 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -142.04 154.91 25.23 Favored Glycine 0 N--CA 1.405 -3.398 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.467 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 5.6 p90 -143.37 135.48 26.9 Favored 'General case' 0 C--N 1.274 -2.692 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 -177.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.596 ' SG ' ' HA ' ' A' ' 31' ' ' LYS . 53.7 t -83.81 123.38 29.83 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 172.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -89.66 -175.21 4.59 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.18 -175.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -59.11 -25.33 63.73 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.971 0.908 . . . . 0.0 112.283 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -80.03 -3.82 50.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.929 0.491 . . . . 0.0 110.889 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.596 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 34.7 mmtp 67.49 35.7 4.1 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.53 1.132 . . . . 0.0 110.391 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 98.2 t -108.73 136.31 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 CA-C-N 114.467 -1.242 . . . . 0.0 107.773 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.8 t -79.17 112.82 16.77 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -110.88 144.37 40.04 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 64.1 m -114.99 126.14 54.41 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.895 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 71.6 ttt180 169.15 -37.17 0.0 OUTLIER 'General case' 0 C--N 1.361 1.078 0 C-N-CA 124.7 1.2 . . . . 0.0 110.053 177.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 . . . . . 0 CA--C 1.492 -1.286 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -175.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.896 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.672 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 7.9 pt -90.13 117.6 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.799 0 CA-C-O 121.938 0.875 . . . . 0.0 110.232 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 m -137.38 151.95 49.13 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.5 m -121.65 104.74 9.83 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 120.503 -0.479 . . . . 0.0 112.138 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -98.08 -34.32 10.82 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.0 mt -120.41 157.99 28.12 Favored 'General case' 0 N--CA 1.423 -1.811 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.347 173.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.7 mm -95.67 125.48 48.43 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.784 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.78 -41.49 1.03 Allowed Glycine 0 CA--C 1.535 1.291 0 CA-C-N 115.21 -0.905 . . . . 0.0 114.699 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -89.39 8.43 30.77 Favored 'General case' 0 CA--C 1.486 -1.483 0 CA-C-O 122.159 0.98 . . . . 0.0 110.281 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.3 tp10 -82.45 78.23 9.13 Favored 'General case' 0 N--CA 1.396 -3.136 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.145 -178.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -56.78 -34.01 67.21 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.156 -1.838 . . . . 0.0 112.891 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.18 -19.59 65.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.362 0.601 . . . . 0.0 110.793 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -87.01 -48.57 7.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 10' ' ' GLU . 35.4 t -56.6 -37.5 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.636 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.35 -26.48 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 120.89 0.376 . . . . 0.0 111.717 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -67.69 -42.76 81.55 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.031 0.92 . . . . 0.0 108.951 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.638 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 25.1 m -68.43 -39.76 81.43 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.549 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 77.2 mt -68.32 -32.12 72.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.52 -43.94 65.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.31 -36.87 82.38 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.039 0.447 . . . . 0.0 111.733 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.1 49.0 0.31 Allowed Glycine 0 N--CA 1.435 -1.414 0 C-N-CA 120.007 -1.092 . . . . 0.0 111.762 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -108.23 165.0 11.82 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 122.695 0.398 . . . . 0.0 110.991 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -65.39 -28.57 69.36 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 172.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -169.76 36.92 Favored Glycine 0 N--CA 1.417 -2.611 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.734 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.638 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -152.27 165.67 30.9 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -177.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -160.03 150.39 18.63 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 121.137 0.494 . . . . 0.0 109.883 -177.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 84.0 m -88.52 127.62 35.54 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 169.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -91.35 -178.04 5.02 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.4 t -60.84 -23.15 64.89 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -80.25 -1.49 40.92 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 122.1 -0.375 . . . . 0.0 111.083 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 74.6 21.65 2.19 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.702 1.201 . . . . 0.0 110.325 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 58.5 t -97.22 138.37 22.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.71 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.672 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 m -82.37 117.06 22.15 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.973 175.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -119.31 139.42 51.98 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 63.0 m -115.9 129.54 56.45 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 17.7 ttm180 172.28 -47.73 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.955 0.784 . . . . 0.0 109.792 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 . . . . . 0 C--N 1.306 -1.291 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.811 -172.019 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.175 0 N-CA-C 112.306 -0.318 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.523 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.3 pt -68.67 127.15 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-O 121.624 0.726 . . . . 0.0 112.708 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.2 m -143.87 134.56 25.03 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.9 m -108.64 103.34 12.42 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.186 0.517 . . . . 0.0 111.968 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.0 -34.57 10.04 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -116.42 157.72 24.66 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.126 -1.397 . . . . 0.0 108.401 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.16 124.9 64.77 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.06 -44.17 2.57 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.748 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -92.39 16.58 11.46 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-O 122.13 0.967 . . . . 0.0 109.628 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.544 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.6 tp10 -88.2 76.46 8.44 Favored 'General case' 0 N--CA 1.392 -3.356 0 CA-C-O 122.233 1.016 . . . . 0.0 111.713 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -57.62 -31.64 66.44 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 113.978 -1.464 . . . . 0.0 112.599 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.68 -22.2 66.61 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.506 0.67 . . . . 0.0 110.283 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -87.39 -47.9 8.41 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 10' ' ' GLU . 38.1 t -53.59 -41.54 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.31 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -59.73 -28.86 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 122.75 0.42 . . . . 0.0 111.933 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.405 ' CE1' ' HE3' ' A' ' 20' ' ' LYS . 83.2 t60 -67.01 -42.07 85.57 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-O 122.1 0.953 . . . . 0.0 108.873 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.784 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 29.6 m -70.8 -34.23 71.54 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.717 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 76.6 mt -71.29 -31.8 67.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.268 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.87 -35.04 62.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.489 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HE3' ' CE1' ' A' ' 16' ' ' HIS . 92.7 mttt -71.1 -36.33 72.14 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.158 0.504 . . . . 0.0 111.281 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.24 52.13 0.74 Allowed Glycine 0 N--CA 1.43 -1.753 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -109.63 158.47 18.02 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.391 0.615 . . . . 0.0 111.779 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -62.83 -24.01 67.56 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.935 -1.484 . . . . 0.0 109.067 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.69 166.51 20.58 Favored Glycine 0 N--CA 1.415 -2.748 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.839 176.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.784 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.21 158.51 27.48 Favored Glycine 0 N--CA 1.413 -2.869 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.414 ' CH2' ' HG3' ' A' ' 37' ' ' ARG . 7.4 p90 -163.62 152.77 14.35 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 117.07 0.435 . . . . 0.0 109.956 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.408 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 87.1 m -85.63 117.75 24.71 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 168.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -82.44 -176.3 6.15 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -64.82 -18.69 65.35 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 123.605 0.762 . . . . 0.0 111.75 -174.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.34 10.88 23.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.299 -0.251 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 64.99 29.02 12.43 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.872 0.869 . . . . 0.0 110.527 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.73 132.72 60.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.526 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.523 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 14.0 m -79.98 124.13 28.42 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 124.122 0.889 . . . . 0.0 111.452 176.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -123.85 136.94 54.69 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.6 m -115.97 110.33 18.8 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -163.3 -51.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.65 0.738 . . . . 0.0 110.162 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HG3' ' CH2' ' A' ' 26' ' ' TRP . 77.8 mtp180 . . . . . 0 CA--C 1.496 -1.103 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.89 -169.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.4 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.721 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 4.9 pt -69.6 126.22 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.314 0 CA-C-O 121.205 0.526 . . . . 0.0 111.494 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.7 m -139.87 146.66 39.58 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 61.1 m -120.22 106.36 11.85 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.087 0.47 . . . . 0.0 111.583 -177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -95.32 -33.28 12.6 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 174.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.14 157.0 19.18 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.858 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 74.4 mt -107.73 119.14 56.81 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.551 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.7 -39.47 1.76 Allowed Glycine 0 CA--C 1.525 0.669 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.51 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -92.98 10.48 31.17 Favored 'General case' 0 CA--C 1.493 -1.232 0 C-N-CA 124.107 0.963 . . . . 0.0 110.251 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.464 ' O ' HG21 ' A' ' 14' ' ' VAL . 12.9 tp10 -84.73 74.59 10.43 Favored 'General case' 0 N--CA 1.404 -2.755 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.418 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -56.71 -33.75 66.8 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 113.699 -1.591 . . . . 0.0 112.209 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.34 -24.3 67.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.199 0.523 . . . . 0.0 110.321 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 t -87.53 -44.8 11.01 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.834 176.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 10' ' ' GLU . 45.0 t -54.91 -41.07 55.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 C-N-CA 123.478 0.711 . . . . 0.0 111.475 -178.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -60.03 -29.16 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.481 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.521 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 72.4 t60 -69.19 -42.32 75.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.297 0.57 . . . . 0.0 109.493 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.729 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 38.4 m -63.58 -42.3 98.31 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.177 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 75.6 mt -68.06 -31.85 71.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.734 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.89 78.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.6 mtpp -70.76 -27.29 63.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.124 178.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.59 30.87 3.63 Favored Glycine 0 CA--C 1.5 -0.844 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.852 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -84.77 162.99 19.39 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -73.95 -19.06 60.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.209 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.16 164.95 18.22 Favored Glycine 0 N--CA 1.418 -2.559 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.069 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.729 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.63 154.31 25.72 Favored Glycine 0 N--CA 1.419 -2.463 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.527 ' CZ3' ' HG2' ' A' ' 37' ' ' ARG . 1.3 p90 -162.54 142.49 9.56 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.285 0.564 . . . . 0.0 109.985 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 91.3 m -85.02 123.21 30.3 Favored 'General case' 0 C--N 1.285 -2.216 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 170.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -90.84 -171.44 3.02 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 119.031 -1.068 . . . . 0.0 109.66 -177.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -57.54 -20.91 34.94 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.139 0.975 . . . . 0.0 111.934 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -76.24 -7.22 54.39 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.527 0.731 . . . . 0.0 111.943 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 67.54 23.36 8.95 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.73 0.776 . . . . 0.0 109.478 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 69.5 t -110.42 139.89 31.9 Favored 'Isoleucine or valine' 0 C--O 1.261 1.673 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.952 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.721 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 13.8 m -74.84 120.82 20.91 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 124.81 1.319 . . . . 0.0 110.79 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -119.72 127.4 52.82 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.0 m -116.34 123.41 47.55 Favored 'General case' 0 C--N 1.28 -2.447 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 178.18 -48.1 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.054 0.388 . . . . 0.0 111.869 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.527 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 14.3 ptm180 . . . . . 0 C--N 1.31 -1.15 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.878 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.467 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 13.8 pt -73.25 117.28 16.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.685 0.755 . . . . 0.0 110.646 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.9 m -135.5 155.28 50.77 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -175.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.451 ' HB2' ' HE2' ' A' ' 31' ' ' LYS . 68.4 m -113.3 92.53 4.03 Favored 'General case' 0 N--CA 1.417 -2.114 0 CA-C-O 121.665 0.745 . . . . 0.0 111.671 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -88.73 -35.5 16.68 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -115.98 162.39 17.44 Favored 'General case' 0 N--CA 1.409 -2.484 0 CA-C-N 114.244 -1.344 . . . . 0.0 107.843 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.19 119.56 61.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.292 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.51 -37.96 1.86 Allowed Glycine 0 N--CA 1.473 1.123 0 CA-C-O 121.523 0.513 . . . . 0.0 113.302 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -88.31 2.13 53.1 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.465 ' O ' HG22 ' A' ' 14' ' ' VAL . 11.4 tp10 -79.49 67.88 5.36 Favored 'General case' 0 N--CA 1.424 -1.775 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.412 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -66.96 -23.7 65.98 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.247 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.53 -23.28 65.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.207 0.527 . . . . 0.0 109.989 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.7 t -86.91 -46.99 9.37 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 10' ' ' GLU . 22.5 t -51.93 -45.03 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.453 0.701 . . . . 0.0 111.251 -178.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.51 -31.31 43.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.077 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.499 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 72.9 t60 -64.39 -43.78 93.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.509 0.671 . . . . 0.0 109.404 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.704 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 60.2 m -69.85 -38.48 76.47 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.073 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.29 -32.16 73.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.876 0.369 . . . . 0.0 110.279 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.36 -35.24 58.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.965 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 30.5 mtpp -72.71 -29.54 63.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.62 0.248 . . . . 0.0 111.506 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.66 39.7 0.65 Allowed Glycine 0 CA--C 1.5 -0.874 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.583 178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -117.73 156.39 28.35 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 123.496 0.718 . . . . 0.0 110.417 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -76.9 -13.9 59.93 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.46 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.35 158.43 9.59 Favored Glycine 0 N--CA 1.416 -2.666 0 C-N-CA 118.695 -1.717 . . . . 0.0 114.601 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.704 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -130.2 149.13 18.83 Favored Glycine 0 N--CA 1.403 -3.543 0 CA-C-N 112.937 -1.631 . . . . 0.0 109.073 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -149.37 164.34 35.2 Favored 'General case' 0 C--N 1.274 -2.688 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.6 m -97.5 120.13 37.31 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.409 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.46 -179.99 3.22 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.473 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -68.88 -9.79 53.51 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 122.097 0.951 . . . . 0.0 110.737 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -83.2 -4.29 58.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.119 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' A' ' 4' ' ' CYS . 13.4 mmmm 66.27 26.12 10.42 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.226 1.01 . . . . 0.0 111.944 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 t -111.05 138.01 41.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.467 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 14.1 m -73.44 133.77 43.79 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 124.558 1.161 . . . . 0.0 110.876 173.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -136.5 149.46 48.18 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 57.7 m -115.45 121.46 42.81 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 36.6 ttp180 173.63 -16.51 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.371 0.42 . . . . 0.0 111.682 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 . . . . . 0 C--N 1.318 -0.804 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.291 -177.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.119 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 pt -74.97 142.06 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 CA-C-O 121.129 0.49 . . . . 0.0 111.165 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.4 m -133.46 145.23 50.03 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 65.0 m -134.31 89.17 2.53 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.84 -34.93 15.08 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -113.53 146.04 40.28 Favored 'General case' 0 N--CA 1.416 -2.143 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.279 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.2 mt -85.83 125.69 40.56 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.035 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 171.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.478 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 72.95 -44.66 1.05 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 177.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -84.31 -5.32 59.25 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 123.796 0.838 . . . . 0.0 110.011 -171.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.3 tp10 -72.18 84.68 1.03 Allowed 'General case' 0 N--CA 1.403 -2.815 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.74 -175.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -52.14 -32.96 38.06 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 112.4 -2.182 . . . . 0.0 111.643 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.93 -19.12 63.4 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 t -86.79 -44.26 11.88 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.514 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 24.6 t -53.7 -47.99 61.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.836 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.82 -26.83 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.979 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -71.56 -44.08 65.19 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.791 0.805 . . . . 0.0 108.925 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.646 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 53.5 m -69.14 -34.24 74.69 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.752 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 86.7 mt -70.09 -31.54 69.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.406 177.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.13 77.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.316 . . . . 0.0 110.507 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -70.15 -33.4 71.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.23 43.19 0.79 Allowed Glycine 0 C--N 1.304 -1.209 0 C-N-CA 120.094 -1.051 . . . . 0.0 111.401 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -108.31 167.19 10.2 Favored 'General case' 0 C--N 1.29 -2.016 0 C-N-CA 123.503 0.721 . . . . 0.0 110.362 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.52 -31.0 72.03 Favored 'General case' 0 CA--C 1.502 -0.866 0 O-C-N 124.001 0.813 . . . . 0.0 109.039 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.33 -171.05 37.25 Favored Glycine 0 N--CA 1.416 -2.661 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.646 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -149.72 160.25 28.41 Favored Glycine 0 N--CA 1.409 -3.12 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -175.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.478 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.9 p90 -154.69 134.26 12.73 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-O 121.235 0.541 . . . . 0.0 109.629 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.66 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 73.6 m -79.28 124.83 28.75 Favored 'General case' 0 C--N 1.284 -2.268 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 170.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -88.05 -170.22 2.89 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.177 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 m -62.83 -19.77 64.41 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -82.76 -3.85 57.13 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 66.61 30.57 8.28 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.368 1.067 . . . . 0.0 111.091 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.66 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 96.1 t -98.8 134.38 37.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.0 t -76.94 111.34 12.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -109.55 142.84 40.06 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.5 m -115.59 129.83 56.65 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 170.32 -44.8 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.433 1.093 . . . . 0.0 109.503 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 N--CA 1.435 -1.197 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.937 -169.734 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.551 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.6 pt -63.87 142.15 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-O 121.476 0.655 . . . . 0.0 111.867 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 m -143.24 154.33 43.72 Favored 'General case' 0 C--N 1.287 -2.129 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.8 m -128.94 93.95 3.72 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-O 121.613 0.721 . . . . 0.0 109.96 173.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.76 -30.92 11.45 Favored 'General case' 0 C--N 1.279 -2.485 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 172.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 85.7 mt -117.32 155.15 30.03 Favored 'General case' 0 N--CA 1.402 -2.837 0 CA-C-N 113.545 -1.661 . . . . 0.0 107.891 175.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.6 mt -113.08 129.82 68.07 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 80.62 -54.93 4.67 Favored Glycine 0 C--N 1.303 -1.299 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.869 -176.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -90.02 21.09 3.84 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 125.838 1.655 . . . . 0.0 109.099 -172.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.57 ' O ' HG21 ' A' ' 14' ' ' VAL . 9.4 tp10 -85.3 85.45 7.45 Favored 'General case' 0 N--CA 1.382 -3.84 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.502 -168.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -53.63 -29.48 38.26 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 112.909 -1.951 . . . . 0.0 113.182 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.59 -20.0 61.38 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.54 0.686 . . . . 0.0 110.334 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 t -87.86 -44.58 10.97 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.57 HG21 ' O ' ' A' ' 10' ' ' GLU . 47.8 t -54.63 -39.15 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.644 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.8 -30.47 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -69.58 -39.15 77.5 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.673 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 35.2 m -70.42 -39.36 74.48 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.313 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 95.5 mt -66.43 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.597 0.237 . . . . 0.0 110.365 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.79 -44.08 64.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.54 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -70.57 -23.39 62.59 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.27 46.41 1.71 Allowed Glycine 0 C--N 1.309 -0.96 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.727 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -107.07 164.07 12.46 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 123.028 0.531 . . . . 0.0 111.074 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.61 -19.68 62.09 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.071 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.93 -174.77 37.59 Favored Glycine 0 N--CA 1.418 -2.538 0 C-N-CA 120.198 -1.001 . . . . 0.0 111.314 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.673 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -150.91 170.06 30.68 Favored Glycine 0 N--CA 1.412 -2.954 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.438 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.2 p90 -163.48 143.59 8.71 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.442 ' SG ' ' HA ' ' A' ' 31' ' ' LYS . 45.1 t -90.2 128.36 36.35 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 174.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -92.09 -175.45 4.08 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.585 -176.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 p -65.01 -19.98 66.27 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -82.75 -2.98 55.86 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 122.186 -0.321 . . . . 0.0 110.341 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 35.3 mmtp 73.15 29.56 1.72 Allowed 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.612 1.165 . . . . 0.0 110.497 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -102.08 132.95 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.217 178.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.0 t -78.73 118.92 21.26 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -118.8 141.93 48.18 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 84.1 m -115.66 128.04 55.62 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 39.9 ttm180 174.01 -48.2 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.83 0.852 . . . . 0.0 109.634 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.487 -173.817 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.219 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.699 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 15.6 pt -74.45 117.33 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.365 0 CA-C-O 121.898 0.856 . . . . 0.0 112.116 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.0 m -144.25 139.83 28.88 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.456 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 62.7 m -114.85 110.14 19.22 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -99.84 -37.79 8.91 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.2 mt -108.98 159.82 16.52 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.379 175.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.8 mt -105.46 120.66 56.55 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 CA-C-N 114.462 -1.245 . . . . 0.0 107.64 176.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.98 -38.09 1.52 Allowed Glycine 0 CA--C 1.536 1.363 0 N-CA-C 114.54 0.576 . . . . 0.0 114.54 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -94.0 7.59 44.51 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.011 0.91 . . . . 0.0 110.483 -174.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.1 tp10 -84.44 77.29 10.04 Favored 'General case' 0 N--CA 1.407 -2.614 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.981 -175.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.41 -29.89 66.43 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.567 -177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.06 -21.64 66.38 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.318 0.58 . . . . 0.0 110.531 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 t -87.79 -49.47 7.09 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.185 173.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 10' ' ' GLU . 42.0 t -54.89 -39.34 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.455 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.15 -29.81 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.149 0.579 . . . . 0.0 111.876 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -64.7 -41.93 95.67 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.74 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 39.3 m -72.11 -39.14 69.08 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.895 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 75.6 mt -67.47 -31.43 71.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.24 -43.19 61.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.434 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -64.1 -29.15 70.3 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.55 54.36 0.69 Allowed Glycine 0 CA--C 1.493 -1.341 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -115.95 157.0 25.23 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.805 -0.698 . . . . 0.0 110.812 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -73.84 -14.02 61.02 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.976 0.798 . . . . 0.0 108.946 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.4 154.39 7.43 Favored Glycine 0 N--CA 1.409 -3.161 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.692 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.74 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -131.12 162.15 23.57 Favored Glycine 0 N--CA 1.412 -2.905 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 178.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.516 ' CH2' ' HG2' ' A' ' 37' ' ' ARG . 5.7 p90 -162.22 149.02 13.53 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 117.65 0.725 . . . . 0.0 110.729 -176.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 89.6 m -87.36 122.07 30.64 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 169.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -87.46 -178.54 6.17 Favored 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 119.635 -0.826 . . . . 0.0 108.787 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.4 t -58.37 -24.36 59.65 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -82.69 2.91 31.29 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.922 -0.486 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 70.4 24.52 4.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.65 1.18 . . . . 0.0 110.597 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.0 t -97.47 136.77 27.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.422 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.699 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 19.7 m -86.87 112.09 21.41 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.709 175.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -115.6 138.28 51.22 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 52.2 m -115.82 118.24 32.46 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 40.3 ttm180 173.97 -12.81 0.0 OUTLIER 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.491 0.494 . . . . 0.0 112.035 -176.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.516 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 26.2 mmm180 . . . . . 0 CA--C 1.5 -0.943 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.024 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.546 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 8.0 pt . . . . . 0 C--O 1.243 0.716 0 CA-C-O 122.041 0.924 . . . . 0.0 111.599 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -124.05 151.77 43.43 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.3 -173.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.1 m -119.55 98.84 6.32 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.073 0.463 . . . . 0.0 111.369 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -90.63 -34.83 15.3 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 73.8 mt -104.83 148.84 26.2 Favored 'General case' 0 N--CA 1.395 -3.222 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.7 mt -108.64 113.93 45.36 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.037 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.55 -40.22 2.85 Favored Glycine 0 C--O 1.216 -1.012 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.044 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -87.03 8.06 25.06 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 122.264 1.031 . . . . 0.0 109.394 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.5 tp10 -83.77 70.31 10.34 Favored 'General case' 0 N--CA 1.416 -2.152 0 CA-C-N 113.936 -1.484 . . . . 0.0 110.527 -173.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.49 -30.32 69.64 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.335 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.87 -23.78 67.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 t -87.99 -45.77 9.92 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.4 t -51.97 -42.19 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 123.598 0.759 . . . . 0.0 111.725 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.89 -31.44 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.537 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -66.4 -41.98 88.52 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.544 0.688 . . . . 0.0 109.451 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.589 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 55.9 m -65.04 -42.89 93.9 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.446 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.13 -32.47 72.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.079 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.51 81.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.988 0.423 . . . . 0.0 110.283 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -69.68 -33.47 72.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.993 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.46 19.47 4.19 Favored Glycine 0 C--N 1.31 -0.906 0 C-N-CA 120.026 -1.083 . . . . 0.0 112.252 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -81.24 159.7 24.47 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 122.382 0.273 . . . . 0.0 110.317 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.48 -27.86 68.88 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.74 -172.92 38.02 Favored Glycine 0 N--CA 1.417 -2.609 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.589 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -149.34 165.02 29.42 Favored Glycine 0 N--CA 1.414 -2.826 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -177.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -159.53 153.0 22.49 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 92.8 m -96.58 128.6 43.67 Favored 'General case' 0 C--N 1.281 -2.371 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 173.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.74 -175.63 4.45 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.994 -0.682 . . . . 0.0 109.973 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -57.99 -25.43 61.03 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 123.432 0.693 . . . . 0.0 112.652 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -79.1 0.12 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.088 -0.382 . . . . 0.0 111.742 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt 69.65 22.25 6.28 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.552 0.741 . . . . 0.0 110.416 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 59.0 t -102.58 140.19 21.59 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.569 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.546 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.2 m -75.38 121.68 22.63 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.518 174.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -124.79 137.27 54.32 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 55.8 m -115.8 130.14 56.72 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 35.2 ttm180 172.36 -39.45 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.916 0.76 . . . . 0.0 109.797 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 . . . . . 0 C--N 1.314 -0.975 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.649 -173.794 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.495 HD12 ' HB2' ' A' ' 33' ' ' CYS . 14.5 pt . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.587 0.708 . . . . 0.0 112.781 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.6 m -145.14 148.33 33.47 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.0 m -115.77 110.11 18.62 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.423 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -95.76 -47.11 6.31 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 171.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.7 mt -112.62 172.14 7.1 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.531 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.96 129.74 71.82 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.611 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.8 -46.37 2.61 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.742 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.1 12.81 20.82 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 122.199 1.0 . . . . 0.0 109.607 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.5 tp10 -87.16 77.08 9.14 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.861 -173.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -56.73 -35.23 68.32 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.606 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.89 -18.49 64.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.523 0.678 . . . . 0.0 110.982 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 6.2 t -86.07 -46.4 10.51 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 173.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 10' ' ' GLU . 47.5 t -55.58 -36.63 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.014 0.926 . . . . 0.0 111.622 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -61.17 -24.23 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.055 0.455 . . . . 0.0 112.07 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.58 -41.14 76.21 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.012 0.91 . . . . 0.0 109.009 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.78 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 33.9 m -68.04 -38.85 82.99 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.343 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 77.6 mt -66.3 -32.28 73.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.019 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.63 71.01 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.608 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.08 -22.22 60.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.97 15.06 12.31 Favored Glycine 0 CA--C 1.505 -0.556 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.886 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -73.47 158.98 33.91 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -69.08 -17.92 63.93 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.18 177.27 35.08 Favored Glycine 0 N--CA 1.415 -2.709 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.441 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.78 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -153.52 166.28 31.69 Favored Glycine 0 N--CA 1.406 -3.322 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.703 ' CE3' ' HG2' ' A' ' 37' ' ' ARG . 1.6 p90 -163.85 145.9 9.28 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 t -86.1 131.52 34.24 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 172.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -98.16 -174.08 2.76 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.754 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.5 p -60.7 -25.39 66.37 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -80.64 2.88 23.92 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 68.79 26.25 6.07 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.053 0.941 . . . . 0.0 109.009 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.49 137.03 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.343 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.937 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' A' ' 2' ' ' ILE . 32.3 m -86.4 123.19 31.36 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.094 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -117.85 137.73 52.58 Favored 'General case' 0 CA--C 1.483 -1.618 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.7 m -116.98 129.74 56.23 Favored 'General case' 0 C--N 1.275 -2.636 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 174.74 -54.38 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 O-C-N 123.909 0.756 . . . . 0.0 109.899 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.703 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 11.7 ptm180 . . . . . 0 N--CA 1.421 -1.9 0 CA-C-O 117.844 -1.074 . . . . 0.0 112.526 -169.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.49 HD12 ' CB ' ' A' ' 33' ' ' CYS . 7.6 pt . . . . . 0 N--CA 1.432 -1.325 0 CA-C-O 121.17 0.509 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.8 m -142.99 150.31 39.47 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m -109.96 122.24 47.09 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 121.5 0.667 . . . . 0.0 112.363 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -113.91 -36.67 4.73 Favored 'General case' 0 C--N 1.285 -2.231 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 168.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.85 156.96 20.38 Favored 'General case' 0 N--CA 1.41 -2.473 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.436 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -114.86 121.2 66.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.741 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.55 -43.06 2.5 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.797 -176.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -90.92 12.38 19.72 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 122.446 1.117 . . . . 0.0 109.709 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.2 tp10 -85.71 68.04 10.26 Favored 'General case' 0 N--CA 1.411 -2.399 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.454 -174.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 26.5 ttm180 -63.82 -26.82 68.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.494 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.97 -21.55 66.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.408 0.623 . . . . 0.0 109.758 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.9 t -87.97 -43.75 11.52 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-O 121.401 0.62 . . . . 0.0 109.653 173.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 10' ' ' GLU . 50.8 t -53.54 -36.71 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.211 1.004 . . . . 0.0 111.927 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 p -53.71 -32.99 22.07 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.772 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.599 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 63.9 t60 -68.01 -43.67 78.3 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.168 0.509 . . . . 0.0 110.643 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.627 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 59.7 m -65.12 -40.57 94.65 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.625 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.03 -31.99 72.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.223 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.4 -42.04 75.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.599 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 30.5 mtpp -66.43 -27.36 67.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.901 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.99 19.69 7.55 Favored Glycine 0 CA--C 1.498 -0.97 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.505 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -82.56 159.43 22.79 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 122.89 0.476 . . . . 0.0 110.96 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -58.87 -29.05 66.7 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 124.541 1.151 . . . . 0.0 108.682 174.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.63 -169.39 37.09 Favored Glycine 0 N--CA 1.409 -3.118 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.627 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -155.06 171.2 33.3 Favored Glycine 0 N--CA 1.415 -2.732 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -163.26 161.27 24.69 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.3 t -105.39 133.4 50.22 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -97.16 179.93 4.74 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.9 m -59.44 -18.08 36.41 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -80.21 -2.6 45.59 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.015 -0.428 . . . . 0.0 110.829 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp 70.14 29.88 3.65 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.752 0.821 . . . . 0.0 109.425 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -111.71 136.49 47.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.614 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.49 ' CB ' HD12 ' A' ' 2' ' ' ILE . 8.1 m -83.29 132.66 35.01 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.994 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -128.27 144.4 51.12 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 81.4 m -116.3 128.48 55.6 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.261 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 34.5 ttm180 171.95 -43.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.316 0.646 . . . . 0.0 110.535 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 CA--C 1.501 -0.918 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.063 -173.05 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.754 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.1 pt . . . . . 0 N--CA 1.441 -0.914 0 CA-C-O 122.292 1.044 . . . . 0.0 112.1 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.6 m -128.81 142.92 50.82 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.4 m -116.31 104.14 11.18 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.404 0.621 . . . . 0.0 112.01 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -93.66 -36.99 12.07 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 173.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.4 mt -111.93 158.95 18.87 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.755 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.549 HD13 ' HA ' ' A' ' 29' ' ' SER . 70.1 mt -106.71 119.06 55.62 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.522 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.61 -41.26 2.1 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 116.158 -0.474 . . . . 0.0 113.7 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -88.93 7.43 34.57 Favored 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 124.302 1.041 . . . . 0.0 109.466 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.2 tp10 -81.75 75.28 8.7 Favored 'General case' 0 N--CA 1.405 -2.702 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.495 -174.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.43 -34.26 66.64 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 113.502 -1.681 . . . . 0.0 112.064 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.34 -21.67 66.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.075 0.465 . . . . 0.0 110.94 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.4 t -87.67 -47.81 8.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 10' ' ' GLU . 21.3 t -53.63 -43.59 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.48 0.712 . . . . 0.0 111.263 -177.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.05 -31.84 42.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.696 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.493 ' NE2' ' HE2' ' A' ' 20' ' ' LYS . 81.8 t60 -73.41 -41.02 63.82 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.68 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 62.9 m -63.21 -41.42 99.15 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.81 -32.04 73.35 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.236 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.71 -45.27 72.01 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.342 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' HE2' ' NE2' ' A' ' 16' ' ' HIS . 60.5 mttm -67.16 -23.86 65.82 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.842 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.04 9.74 11.74 Favored Glycine 0 CA--C 1.493 -1.309 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.405 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -76.07 155.14 35.08 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 122.457 0.303 . . . . 0.0 110.968 178.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -69.47 -12.77 61.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 37' ' ' ARG . . . 161.44 -175.0 38.07 Favored Glycine 0 CA--C 1.48 -2.139 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 175.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.68 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -159.5 152.2 23.11 Favored Glycine 0 CA--C 1.481 -2.064 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -146.53 150.25 35.18 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -175.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 97.9 m -90.36 130.61 36.43 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 169.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.464 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 2.0 p30 -87.5 -177.0 5.79 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.549 ' HA ' HD13 ' A' ' 7' ' ' ILE . 14.5 t -55.77 -27.74 52.47 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.88 0.872 . . . . 0.0 112.829 -176.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -85.32 7.48 22.13 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.933 -0.479 . . . . 0.0 111.542 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 65.88 34.47 7.22 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.523 0.729 . . . . 0.0 109.554 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 59.6 t -108.77 134.27 51.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.754 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 10.4 m -77.84 126.55 31.02 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 123.611 0.57 . . . . 0.0 110.517 175.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -130.29 139.36 50.74 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 59.5 m -113.76 129.9 56.52 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.907 -178.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 166.67 -31.57 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.878 1.671 . . . . 0.0 109.454 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' O ' ' HA3' ' A' ' 24' ' ' GLY . 59.1 mtm180 . . . . . 0 CA--C 1.506 -0.749 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.097 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.776 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 8.5 pt . . . . . 0 N--CA 1.429 -1.489 0 CA-C-O 121.677 0.751 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.7 m -140.47 142.0 35.37 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.422 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 61.4 m -115.38 107.79 15.68 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.625 0.726 . . . . 0.0 112.8 -177.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -93.21 -34.7 13.48 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -109.77 164.48 12.52 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.648 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.0 mt -111.38 114.03 45.94 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.26 -37.98 2.02 Favored Glycine 0 C--N 1.305 -1.178 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.466 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -89.59 10.53 22.71 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 122.542 1.163 . . . . 0.0 109.6 -175.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.7 tp10 -86.48 76.09 9.65 Favored 'General case' 0 N--CA 1.392 -3.373 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.509 -174.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -56.22 -29.67 61.29 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.56 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.95 -26.66 68.68 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.368 0.604 . . . . 0.0 110.529 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -87.25 -47.01 9.19 Favored 'General case' 0 N--CA 1.422 -1.837 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 10' ' ' GLU . 36.2 t -56.99 -37.88 57.08 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.497 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.62 -27.4 42.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.532 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -70.28 -41.76 72.98 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.84 0.829 . . . . 0.0 109.02 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.711 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 30.7 m -63.66 -45.4 90.32 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.231 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.31 -31.16 71.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.377 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.24 71.99 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.346 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -66.81 -37.52 84.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.846 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.96 29.99 0.91 Allowed Glycine 0 C--N 1.307 -1.061 0 C-N-CA 119.927 -1.13 . . . . 0.0 112.09 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -88.61 159.09 18.04 Favored 'General case' 0 CA--C 1.479 -1.788 0 CA-C-O 120.938 0.399 . . . . 0.0 111.104 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -72.16 -17.47 61.94 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.122 -0.944 . . . . 0.0 108.774 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.63 177.51 34.76 Favored Glycine 0 N--CA 1.417 -2.574 0 C-N-CA 119.936 -1.126 . . . . 0.0 111.483 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.711 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -147.86 167.03 28.82 Favored Glycine 0 N--CA 1.415 -2.722 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.69 ' CE3' ' HG2' ' A' ' 37' ' ' ARG . 3.5 p90 -163.89 154.28 15.31 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 91.8 m -96.45 123.98 40.29 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -82.57 -179.4 7.41 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 m -54.91 -27.65 44.78 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.229 1.012 . . . . 0.0 113.442 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -84.35 4.66 30.24 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.319 -0.238 . . . . 0.0 111.184 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 70.28 24.44 4.79 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.623 0.769 . . . . 0.0 111.24 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 61.6 t -97.21 134.42 35.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.526 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.776 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 5.8 m -80.1 122.97 27.44 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.99 176.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -128.69 134.53 48.52 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.5 m -116.69 130.07 56.51 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 174.74 -61.36 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.404 0 O-C-N 123.873 0.733 . . . . 0.0 110.115 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.69 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 11.7 ptm180 . . . . . 0 C--O 1.253 1.239 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.494 -170.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.689 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 7.2 pt . . . . . 0 N--CA 1.435 -1.191 0 CA-C-O 122.019 0.914 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.2 m -136.12 153.15 51.38 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.45 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 63.4 m -121.96 99.28 6.36 Favored 'General case' 0 N--CA 1.422 -1.853 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.476 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -84.9 -35.86 21.86 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 82.5 mt -110.32 150.74 28.32 Favored 'General case' 0 N--CA 1.41 -2.437 0 CA-C-N 114.014 -1.448 . . . . 0.0 107.648 176.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.5 mt -102.88 117.72 48.7 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.64 -42.6 3.06 Favored Glycine 0 C--N 1.309 -0.953 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.604 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -89.14 10.88 20.29 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 122.278 1.037 . . . . 0.0 109.433 -175.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.7 tp10 -86.22 78.06 9.42 Favored 'General case' 0 N--CA 1.396 -3.165 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.963 -172.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.91 -21.46 63.4 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.782 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.19 -24.4 63.12 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 109.54 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.55 -48.09 8.2 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.211 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.7 t -54.74 -37.85 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.771 0.828 . . . . 0.0 111.804 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -57.06 -30.16 33.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.734 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.494 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 80.8 t60 -67.33 -44.35 79.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.283 0.563 . . . . 0.0 109.582 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.592 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 34.0 m -65.9 -40.55 91.61 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.602 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.38 -31.44 69.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.81 -40.66 68.98 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.309 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.9 mtpp -71.07 -28.01 64.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.433 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.26 20.98 5.37 Favored Glycine 0 CA--C 1.499 -0.959 0 C-N-CA 119.569 -1.3 . . . . 0.0 112.745 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -79.24 169.2 18.48 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 120.935 0.398 . . . . 0.0 111.024 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 6.4 tpm_? -75.69 -20.02 58.7 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.69 -171.88 37.75 Favored Glycine 0 N--CA 1.422 -2.269 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.746 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.592 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -153.32 165.88 31.47 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -177.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.448 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 5.9 p90 -163.47 153.65 15.59 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 76.3 m -92.5 134.31 35.09 Favored 'General case' 0 C--N 1.278 -2.509 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 170.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.31 -177.78 5.2 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 p -62.04 -21.06 64.6 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -83.7 6.94 19.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.031 -0.418 . . . . 0.0 110.538 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt 68.69 19.62 8.46 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.382 0.673 . . . . 0.0 110.944 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.1 t -95.66 136.92 25.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.689 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.0 m -80.0 118.17 21.49 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.254 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -117.86 139.98 50.35 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.63 125.99 53.59 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 121.362 -0.135 . . . . 0.0 110.66 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 32.2 ttm180 173.95 -54.62 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 124.848 1.259 . . . . 0.0 110.364 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 123.016 0.527 . . . . 0.0 112.003 -173.359 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.518 HD12 ' HB2' ' A' ' 33' ' ' CYS . 9.3 pt . . . . . 0 N--CA 1.446 -0.652 0 CA-C-O 121.894 0.854 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -134.53 157.01 47.64 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.5 m -123.1 91.15 3.43 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.679 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -87.15 -35.26 18.72 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 176.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 94.7 mt -134.07 170.1 16.15 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 114.228 -1.351 . . . . 0.0 107.42 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mt -117.77 132.95 66.08 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.144 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.42 -47.26 3.79 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-O 121.425 0.458 . . . . 0.0 112.094 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -91.46 7.65 40.17 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 122.043 0.925 . . . . 0.0 109.437 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.5 tp10 -83.31 73.22 10.15 Favored 'General case' 0 N--CA 1.413 -2.303 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.371 -175.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -61.43 -30.53 70.63 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 113.438 -1.71 . . . . 0.0 111.808 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.85 -18.46 62.71 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.091 0.472 . . . . 0.0 111.107 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' CB ' ' HG3' ' A' ' 10' ' ' GLU . 15.2 t -83.86 -48.34 10.14 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 173.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 10' ' ' GLU . 28.6 t -55.92 -39.41 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.353 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.17 -28.06 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.035 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 45.3 t60 -67.73 -42.89 81.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.53 0.681 . . . . 0.0 109.185 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.609 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 60.6 m -66.13 -37.51 85.89 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.021 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.66 -32.03 71.58 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.478 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.81 -35.8 70.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.999 0.428 . . . . 0.0 110.179 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 31.0 mtpp -70.33 -33.72 71.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.018 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.82 32.17 2.53 Favored Glycine 0 C--N 1.312 -0.798 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -98.95 157.66 16.17 Favored 'General case' 0 CA--C 1.488 -1.432 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.75 -22.91 67.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.26 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.56 176.47 33.69 Favored Glycine 0 CA--C 1.487 -1.715 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.671 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.609 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -146.41 160.27 28.16 Favored Glycine 0 N--CA 1.421 -2.351 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.458 ' CH2' ' HG2' ' A' ' 37' ' ' ARG . 7.3 p90 -160.69 151.31 18.35 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.9 m -84.88 135.23 34.16 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -98.95 -176.25 3.28 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 m -59.64 -20.32 55.25 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -84.9 3.21 39.17 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.032 -0.418 . . . . 0.0 111.488 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 71.03 14.91 6.73 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.494 1.118 . . . . 0.0 110.437 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -94.58 133.85 34.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB2' HD12 ' A' ' 2' ' ' ILE . 7.1 m -84.98 127.43 34.19 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.826 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -123.98 148.46 46.94 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.7 m -115.83 122.62 45.95 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 78.1 ttt180 176.26 -53.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.685 0.394 . . . . 0.0 110.307 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 30.3 mmm180 . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 118.839 -0.6 . . . . 0.0 112.067 -171.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.728 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 9.2 pt . . . . . 0 N--CA 1.433 -1.295 0 CA-C-O 121.506 0.67 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m -139.37 135.47 33.74 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 64.2 m -103.52 112.12 24.88 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.806 0.812 . . . . 0.0 112.944 -177.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -97.23 -49.06 5.1 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -106.32 162.9 13.27 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.89 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.4 mt -105.08 125.62 60.11 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.924 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.39 -44.77 1.98 Allowed Glycine 0 CA--C 1.533 1.218 0 N-CA-C 114.152 0.421 . . . . 0.0 114.152 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -97.76 19.46 13.64 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-O 121.952 0.882 . . . . 0.0 110.437 -172.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 14' ' ' VAL . 14.3 tp10 -85.46 75.59 10.17 Favored 'General case' 0 N--CA 1.396 -3.164 0 CA-C-O 122.483 1.135 . . . . 0.0 110.054 -176.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -55.35 -34.23 64.08 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 113.568 -1.651 . . . . 0.0 112.395 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.4 -21.42 65.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.761 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -88.03 -49.17 7.22 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 10' ' ' GLU . 44.0 t -51.59 -40.18 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.351 1.061 . . . . 0.0 112.61 -176.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 p -52.19 -31.6 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 122.978 0.511 . . . . 0.0 112.098 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.591 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 71.7 t60 -68.27 -44.87 74.6 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 121.157 0.503 . . . . 0.0 110.309 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.611 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 55.6 m -67.76 -36.04 79.79 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.312 0.577 . . . . 0.0 109.906 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.12 -30.86 70.11 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.79 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.39 -38.21 65.7 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.565 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.591 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.3 mtpp -70.12 -26.24 63.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 110.709 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.66 24.92 6.79 Favored Glycine 0 CA--C 1.503 -0.685 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.576 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -86.09 165.25 16.76 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.108 0.563 . . . . 0.0 111.921 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -60.79 -28.11 68.51 Favored 'General case' 0 CA--C 1.502 -0.888 0 O-C-N 124.017 0.823 . . . . 0.0 109.352 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.25 -175.69 37.85 Favored Glycine 0 N--CA 1.401 -3.659 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.611 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -143.48 165.31 27.16 Favored Glycine 0 N--CA 1.406 -3.317 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -161.37 150.49 16.31 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.8 m -90.89 122.12 33.32 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 168.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.32 179.87 6.69 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.2 t -66.38 -30.54 70.94 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -75.8 5.06 6.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.189 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 64.95 25.89 12.74 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.849 1.26 . . . . 0.0 111.323 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -100.07 131.98 46.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.063 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.728 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 1.5 m -78.62 110.66 13.94 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 124.295 0.997 . . . . 0.0 109.812 174.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -118.76 145.55 45.49 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.56 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 85.8 m -115.46 121.37 42.52 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 77.4 ttt180 172.68 -42.35 0.01 OUTLIER 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.026 0.829 . . . . 0.0 110.467 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.463 -174.522 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.532 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 pt . . . . . 0 N--CA 1.44 -0.943 0 CA-C-O 122.284 1.04 . . . . 0.0 112.213 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.9 m -144.01 145.36 32.16 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.9 m -105.08 98.85 8.5 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -93.77 -35.68 12.65 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 94.4 mt -118.37 148.05 42.91 Favored 'General case' 0 N--CA 1.425 -1.719 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 174.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -95.47 115.61 34.93 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.751 0 CA-C-O 121.214 0.53 . . . . 0.0 109.792 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.19 -38.42 2.22 Favored Glycine 0 C--N 1.303 -1.27 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.604 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.57 6.24 24.58 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 122.565 1.174 . . . . 0.0 109.137 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 14.4 tp10 -81.89 72.53 8.94 Favored 'General case' 0 N--CA 1.405 -2.716 0 CA-C-N 113.572 -1.649 . . . . 0.0 109.771 -175.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -59.46 -30.97 68.89 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.305 -1.316 . . . . 0.0 112.165 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.04 -19.13 65.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.04 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' CB ' ' HG3' ' A' ' 10' ' ' GLU . 15.7 t -86.34 -50.76 6.68 Favored 'General case' 0 N--CA 1.435 -1.195 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 21.6 t -55.02 -39.84 51.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.374 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.02 -27.6 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -70.79 -40.6 72.45 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.741 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 24.9 m -65.93 -43.43 88.11 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.095 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 84.3 mt -65.32 -31.76 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.439 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.89 -43.91 74.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.144 0.497 . . . . 0.0 110.119 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -69.85 -18.55 63.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.063 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.61 9.61 20.89 Favored Glycine 0 CA--C 1.491 -1.435 0 C-N-CA 119.954 -1.117 . . . . 0.0 112.357 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -75.23 159.54 31.43 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 122.801 0.44 . . . . 0.0 110.924 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -73.74 -23.81 59.8 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.32 171.18 28.14 Favored Glycine 0 C--O 1.279 2.965 0 C-N-CA 118.268 -1.92 . . . . 0.0 114.686 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.741 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -139.89 153.61 23.33 Favored Glycine 0 N--CA 1.405 -3.425 0 CA-C-N 112.607 -1.796 . . . . 0.0 110.359 -175.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 37' ' ' ARG . 8.6 p90 -152.89 154.35 34.9 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 81.2 m -86.65 122.21 30.24 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -86.23 -172.74 4.21 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 p -59.49 -24.41 63.58 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 -88.3 5.61 41.06 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.454 0.301 . . . . 0.0 110.977 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 67.37 26.2 8.49 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.967 0.907 . . . . 0.0 110.774 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 61.4 t -101.2 134.39 41.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.243 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.532 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 8.4 m -78.62 118.87 21.13 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.218 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 17.3 m-80 -116.29 133.31 56.16 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 27.2 m -115.02 121.62 43.68 Favored 'General case' 0 C--N 1.275 -2.635 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 173.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 73.8 ttt180 177.18 -22.55 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 119.595 -0.842 . . . . 0.0 112.214 -173.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 14.3 ptm180 . . . . . 0 N--CA 1.423 -1.793 0 CA-C-O 117.191 -1.385 . . . . 0.0 110.997 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 pt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 121.009 0.433 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m -137.47 145.18 42.77 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -175.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.6 m -108.28 121.78 45.61 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 120.88 0.371 . . . . 0.0 110.797 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -98.92 -45.83 5.84 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 173.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -106.51 169.47 8.5 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.629 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.5 mt -113.9 131.62 65.28 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.47 -36.6 0.98 Allowed Glycine 0 CA--C 1.537 1.428 0 N-CA-C 114.664 0.626 . . . . 0.0 114.664 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -103.72 13.15 33.7 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 121.677 0.751 . . . . 0.0 110.738 -173.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 14' ' ' VAL . 14.9 tp10 -86.54 65.62 9.12 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-O 122.263 1.03 . . . . 0.0 110.729 -175.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 40.4 ttm180 -64.07 -25.5 68.13 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.114 -176.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.7 -23.97 67.42 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.8 t -88.01 -39.66 14.49 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.442 173.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 25' ' ' GLY . 50.1 t -54.59 -35.2 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.014 0.926 . . . . 0.0 111.599 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 p -55.43 -32.29 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.554 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -65.8 -43.39 88.82 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.576 0.703 . . . . 0.0 110.046 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.757 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 26.1 m -66.27 -40.09 89.89 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.61 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -69.39 -31.75 70.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.424 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.58 69.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.31 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -74.51 -28.67 61.09 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.048 0.451 . . . . 0.0 110.935 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.11 24.53 6.84 Favored Glycine 0 N--CA 1.431 -1.692 0 C-N-CA 119.932 -1.128 . . . . 0.0 111.78 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -82.42 162.37 22.15 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 123.012 0.525 . . . . 0.0 109.777 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' HB2' ' OXT' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -76.32 -18.87 58.72 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.05 166.26 21.55 Favored Glycine 0 N--CA 1.401 -3.661 0 CA-C-O 122.96 1.311 . . . . 0.0 114.66 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.757 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -140.91 154.17 24.24 Favored Glycine 0 N--CA 1.396 -3.99 0 CA-C-N 112.266 -1.967 . . . . 0.0 108.671 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.464 ' HZ3' ' H ' ' A' ' 37' ' ' ARG . 4.7 p90 -162.29 151.19 15.22 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 81.2 m -87.68 123.25 32.32 Favored 'General case' 0 C--N 1.28 -2.414 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -91.26 -174.49 3.96 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -60.09 -22.85 63.26 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -84.06 3.97 32.22 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.123 -0.361 . . . . 0.0 111.183 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 68.89 22.9 6.96 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.603 0.761 . . . . 0.0 110.528 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.6 t -98.57 132.94 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.283 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.677 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.4 m -76.57 116.67 17.46 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.577 171.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.545 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 19.2 m-80 -118.54 112.69 20.21 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.3 m -97.75 114.05 25.96 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 103.735 -2.691 . . . . 0.0 103.735 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -165.67 -38.53 0.03 OUTLIER 'General case' 0 CA--C 1.492 -1.27 0 C-N-CA 117.441 -1.703 . . . . 0.0 111.868 -170.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.522 ' OXT' ' HB2' ' A' ' 23' ' ' ARG . 16.9 ptt180 . . . . . 0 C--N 1.294 -1.844 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.601 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.6 pt . . . . . 0 N--CA 1.44 -0.965 0 CA-C-O 121.694 0.759 . . . . 0.0 111.643 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.7 m -142.97 144.5 32.36 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.7 m -121.5 113.56 20.0 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.576 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -109.12 -28.69 8.92 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 173.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.1 mt -112.24 168.33 9.71 Favored 'General case' 0 N--CA 1.405 -2.687 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -127.66 119.02 50.76 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.501 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.15 -38.41 2.73 Favored Glycine 0 C--O 1.221 -0.704 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -89.6 0.56 56.85 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 122.525 1.155 . . . . 0.0 107.945 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.0 tp10 -84.26 67.09 9.66 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.268 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 16.3 tpp180 -66.35 -23.29 66.32 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.452 -174.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.3 -24.29 67.25 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.621 176.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 t -86.98 -47.06 9.27 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.43 ' HB ' ' HD3' ' A' ' 11' ' ' ARG . 26.0 t -57.67 -35.42 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.508 -177.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.09 -25.76 38.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.451 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 78.5 t60 -69.85 -38.19 76.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.966 0.888 . . . . 0.0 109.135 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.823 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 30.1 m -67.39 -40.23 85.64 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.001 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.72 -31.59 71.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.294 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.59 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.768 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HE3' ' NE2' ' A' ' 16' ' ' HIS . 95.3 mttt -66.67 -38.37 86.68 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.624 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.57 42.76 0.52 Allowed Glycine 0 C--N 1.306 -1.096 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -104.58 162.16 13.5 Favored 'General case' 0 CA--C 1.477 -1.861 0 C-N-CA 122.779 0.432 . . . . 0.0 110.223 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -83.69 -11.17 57.55 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.13 164.97 19.43 Favored Glycine 0 N--CA 1.405 -3.418 0 C-N-CA 119.265 -1.445 . . . . 0.0 113.501 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.823 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.39 154.95 26.07 Favored Glycine 1 N--CA 1.391 -4.33 0 CA-C-N 112.835 -1.683 . . . . 0.0 108.994 -177.254 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.454 ' CH2' ' HG3' ' A' ' 37' ' ' ARG . 5.8 p90 -154.17 155.91 36.2 Favored 'General case' 0 C--N 1.275 -2.64 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -175.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -90.25 126.84 35.97 Favored 'General case' 0 C--N 1.276 -2.593 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 175.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' OD2' ' HB ' ' A' ' 32' ' ' VAL . 2.3 p30 -84.7 179.08 7.43 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.034 -1.066 . . . . 0.0 108.217 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 m -61.36 -14.52 28.13 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -91.71 5.5 49.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.091 -0.381 . . . . 0.0 110.018 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 70.0 18.31 7.21 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.161 0.984 . . . . 0.0 111.495 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.439 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 86.8 t -87.41 132.65 32.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.369 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.601 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 9.2 m -77.97 116.31 18.36 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.562 176.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -117.15 127.54 54.22 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.9 m -112.4 121.41 44.77 Favored 'General case' 0 C--N 1.282 -2.331 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 179.52 -28.77 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.664 -170.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.454 ' HG3' ' CH2' ' A' ' 26' ' ' TRP . 74.7 mtp180 . . . . . 0 N--CA 1.432 -1.339 0 CA-C-O 119.028 -0.511 . . . . 0.0 109.949 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 pt . . . . . 0 N--CA 1.428 -1.526 0 CA-C-O 121.931 0.872 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.8 m -123.2 144.59 49.27 Favored 'General case' 0 C--N 1.269 -2.902 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.6 m -127.74 82.32 2.08 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-O 121.79 0.805 . . . . 0.0 109.899 175.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -94.13 -30.42 14.65 Favored 'General case' 0 C--N 1.284 -2.276 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 93.6 mt -111.5 147.77 34.6 Favored 'General case' 0 N--CA 1.402 -2.873 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.536 174.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.1 mt -103.18 127.63 56.89 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.061 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.469 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 79.4 -47.73 3.27 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 121.329 -0.462 . . . . 0.0 114.017 -178.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -95.04 19.52 10.31 Favored 'General case' 0 CA--C 1.487 -1.451 0 C-N-CA 124.226 1.01 . . . . 0.0 110.388 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.4 tp10 -90.31 82.39 5.97 Favored 'General case' 1 N--CA 1.378 -4.026 0 CA-C-O 122.426 1.108 . . . . 0.0 112.021 -171.845 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -56.03 -28.68 58.43 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.258 -1.792 . . . . 0.0 112.413 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.16 -25.63 67.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.503 0.668 . . . . 0.0 110.491 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.4 t -86.82 -45.51 10.82 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.9 t -51.52 -46.24 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.834 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.08 -26.6 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.91 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.497 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 80.0 t60 -73.43 -40.45 64.21 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 61.1 m -67.15 -36.11 81.13 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.336 177.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 90.6 mt -69.35 -32.44 71.52 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.13 80.69 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.669 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HE3' ' NE2' ' A' ' 16' ' ' HIS . 91.3 mttt -72.36 -37.79 68.72 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.07 52.68 0.31 Allowed Glycine 0 C--N 1.305 -1.15 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.8 163.26 20.56 Favored 'General case' 0 CA--C 1.485 -1.54 0 C-N-CA 123.281 0.632 . . . . 0.0 111.556 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -64.56 -28.89 69.94 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.44 -170.76 37.28 Favored Glycine 0 N--CA 1.417 -2.618 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.694 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -148.57 166.61 29.18 Favored Glycine 0 N--CA 1.416 -2.66 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.394 -176.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.469 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.4 p90 -154.22 134.79 13.51 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 88.8 m -80.12 127.04 31.85 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 169.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -92.84 -171.4 2.71 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -60.77 -25.45 66.53 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 123.749 0.82 . . . . 0.0 112.416 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -76.31 -6.56 52.06 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.285 -0.259 . . . . 0.0 111.074 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 69.68 26.95 4.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.08 0.952 . . . . 0.0 110.225 -176.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 92.9 t -99.69 137.06 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.108 177.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.58 114.69 17.72 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -114.08 142.6 46.0 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.87 124.85 51.68 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 12.8 ttp180 169.96 -42.51 0.0 OUTLIER 'General case' 0 C--N 1.355 0.826 0 C-N-CA 125.462 1.505 . . . . 0.0 110.429 177.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 118.942 -0.552 . . . . 0.0 110.775 -175.695 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 N--CA 1.43 -1.443 0 CA-C-O 121.406 0.622 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.6 m -143.3 162.24 36.2 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -137.29 94.95 3.0 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 118.498 0.59 . . . . 0.0 111.525 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -103.17 -34.6 8.78 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 170.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 91.1 mt -107.16 146.23 31.59 Favored 'General case' 0 N--CA 1.41 -2.445 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.023 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.9 mt -97.73 127.77 49.74 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.147 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 -42.68 1.85 Allowed Glycine 0 CA--C 1.536 1.369 0 N-CA-C 115.145 0.818 . . . . 0.0 115.145 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -97.28 14.33 26.44 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 122.724 1.25 . . . . 0.0 109.877 -174.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.5 tp10 -83.54 85.52 7.24 Favored 'General case' 0 N--CA 1.386 -3.668 0 CA-C-N 114.189 -1.369 . . . . 0.0 111.225 -174.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -50.49 -30.95 13.99 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.161 -1.836 . . . . 0.0 113.194 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.46 -24.79 67.74 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 121.598 0.714 . . . . 0.0 110.857 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -87.14 -49.36 7.35 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.762 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 25' ' ' GLY . 21.6 t -52.3 -46.85 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.515 -177.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -60.77 -29.98 46.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.871 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.413 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 63.5 t60 -69.55 -43.26 73.33 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.734 0.778 . . . . 0.0 109.393 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.673 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 58.8 m -70.59 -36.24 73.45 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.118 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.78 -32.8 74.32 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.8 -34.01 66.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.3 0.572 . . . . 0.0 110.485 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 28.6 mtpp -76.51 -24.78 53.73 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.561 177.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.84 25.03 4.68 Favored Glycine 0 C--N 1.315 -0.637 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.627 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -97.07 159.89 14.65 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 122.482 0.313 . . . . 0.0 110.723 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -56.21 -28.95 60.17 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 123.829 0.706 . . . . 0.0 110.055 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.23 -177.17 37.67 Favored Glycine 0 N--CA 1.403 -3.513 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.673 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -142.04 154.91 25.23 Favored Glycine 0 N--CA 1.405 -3.398 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.459 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 5.6 p90 -143.37 135.48 26.9 Favored 'General case' 0 C--N 1.274 -2.692 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 -177.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' A' ' 31' ' ' LYS . 53.7 t -83.81 123.38 29.83 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 172.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -89.66 -175.21 4.59 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.18 -175.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -59.11 -25.33 63.73 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.971 0.908 . . . . 0.0 112.283 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -80.03 -3.82 50.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.929 0.491 . . . . 0.0 110.889 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 34.7 mmtp 67.49 35.7 4.1 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.53 1.132 . . . . 0.0 110.391 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 98.2 t -108.73 136.31 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 CA-C-N 114.467 -1.242 . . . . 0.0 107.773 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.8 t -79.17 112.82 16.77 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -110.88 144.37 40.04 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 64.1 m -114.99 126.14 54.41 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.895 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 71.6 ttt180 169.15 -37.17 0.0 OUTLIER 'General case' 0 C--N 1.361 1.078 0 C-N-CA 124.7 1.2 . . . . 0.0 110.053 177.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 . . . . . 0 CA--C 1.492 -1.286 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -175.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.666 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 7.9 pt . . . . . 0 N--CA 1.423 -1.799 0 CA-C-O 121.938 0.875 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 m -137.38 151.95 49.13 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.404 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 78.5 m -121.65 104.74 9.83 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 120.503 -0.479 . . . . 0.0 112.138 -178.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -98.08 -34.32 10.82 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 85.0 mt -120.41 157.99 28.12 Favored 'General case' 0 N--CA 1.423 -1.811 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.347 173.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.7 mm -95.67 125.48 48.43 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.784 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.78 -41.49 1.03 Allowed Glycine 0 CA--C 1.535 1.291 0 CA-C-N 115.21 -0.905 . . . . 0.0 114.699 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -89.39 8.43 30.77 Favored 'General case' 0 CA--C 1.486 -1.483 0 CA-C-O 122.159 0.98 . . . . 0.0 110.281 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.3 tp10 -82.45 78.23 9.13 Favored 'General case' 0 N--CA 1.396 -3.136 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.145 -178.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -56.78 -34.01 67.21 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.156 -1.838 . . . . 0.0 112.891 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.18 -19.59 65.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.362 0.601 . . . . 0.0 110.793 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -87.01 -48.57 7.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 10' ' ' GLU . 35.4 t -56.6 -37.5 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.636 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.35 -26.48 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 120.89 0.376 . . . . 0.0 111.717 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -67.69 -42.76 81.55 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.031 0.92 . . . . 0.0 108.951 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.658 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 25.1 m -68.43 -39.76 81.43 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.549 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 77.2 mt -68.32 -32.12 72.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.52 -43.94 65.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.31 -36.87 82.38 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.039 0.447 . . . . 0.0 111.733 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.1 49.0 0.31 Allowed Glycine 0 N--CA 1.435 -1.414 0 C-N-CA 120.007 -1.092 . . . . 0.0 111.762 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -108.23 165.0 11.82 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 122.695 0.398 . . . . 0.0 110.991 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 42.4 ttm180 -65.39 -28.57 69.36 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 172.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -169.76 36.92 Favored Glycine 0 N--CA 1.417 -2.611 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.734 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.658 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -152.27 165.67 30.9 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -177.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -160.03 150.39 18.63 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 121.137 0.494 . . . . 0.0 109.883 -177.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 84.0 m -88.52 127.62 35.54 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 169.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -91.35 -178.04 5.02 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.4 t -60.84 -23.15 64.89 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -80.25 -1.49 40.92 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 122.1 -0.375 . . . . 0.0 111.083 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 74.6 21.65 2.19 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.702 1.201 . . . . 0.0 110.325 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 58.5 t -97.22 138.37 22.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.71 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.666 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 m -82.37 117.06 22.15 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.973 175.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -119.31 139.42 51.98 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 63.0 m -115.9 129.54 56.45 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 17.7 ttm180 172.28 -47.73 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.955 0.784 . . . . 0.0 109.792 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 . . . . . 0 C--N 1.306 -1.291 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.811 -172.019 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.515 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.3 pt . . . . . 0 N--CA 1.445 -0.692 0 CA-C-O 121.624 0.726 . . . . 0.0 112.708 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.2 m -143.87 134.56 25.03 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.9 m -108.64 103.34 12.42 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.186 0.517 . . . . 0.0 111.968 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.0 -34.57 10.04 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -116.42 157.72 24.66 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.126 -1.397 . . . . 0.0 108.401 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.16 124.9 64.77 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.06 -44.17 2.57 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.748 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -92.39 16.58 11.46 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-O 122.13 0.967 . . . . 0.0 109.628 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.6 tp10 -88.2 76.46 8.44 Favored 'General case' 0 N--CA 1.392 -3.356 0 CA-C-O 122.233 1.016 . . . . 0.0 111.713 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -57.62 -31.64 66.44 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 113.978 -1.464 . . . . 0.0 112.599 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.68 -22.2 66.61 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.506 0.67 . . . . 0.0 110.283 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -87.39 -47.9 8.41 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 10' ' ' GLU . 38.1 t -53.59 -41.54 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.31 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -59.73 -28.86 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 122.75 0.42 . . . . 0.0 111.933 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.409 ' CE1' ' HE3' ' A' ' 20' ' ' LYS . 83.2 t60 -67.01 -42.07 85.57 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-O 122.1 0.953 . . . . 0.0 108.873 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.808 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 29.6 m -70.8 -34.23 71.54 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.717 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 76.6 mt -71.29 -31.8 67.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.268 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.87 -35.04 62.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.489 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HE3' ' CE1' ' A' ' 16' ' ' HIS . 92.7 mttt -71.1 -36.33 72.14 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.158 0.504 . . . . 0.0 111.281 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.24 52.13 0.74 Allowed Glycine 0 N--CA 1.43 -1.753 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -109.63 158.47 18.02 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.391 0.615 . . . . 0.0 111.779 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -62.83 -24.01 67.56 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.935 -1.484 . . . . 0.0 109.067 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.69 166.51 20.58 Favored Glycine 0 N--CA 1.415 -2.748 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.839 176.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.808 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.21 158.51 27.48 Favored Glycine 0 N--CA 1.413 -2.869 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.408 ' HZ3' ' H ' ' A' ' 37' ' ' ARG . 7.4 p90 -163.62 152.77 14.35 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 117.07 0.435 . . . . 0.0 109.956 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 87.1 m -85.63 117.75 24.71 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 168.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -82.44 -176.3 6.15 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -64.82 -18.69 65.35 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 123.605 0.762 . . . . 0.0 111.75 -174.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.34 10.88 23.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.299 -0.251 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 64.99 29.02 12.43 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.872 0.869 . . . . 0.0 110.527 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.73 132.72 60.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.526 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.515 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 14.0 m -79.98 124.13 28.42 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 124.122 0.889 . . . . 0.0 111.452 176.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -123.85 136.94 54.69 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.6 m -115.97 110.33 18.8 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -163.3 -51.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.65 0.738 . . . . 0.0 110.162 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' H ' ' HZ3' ' A' ' 26' ' ' TRP . 77.8 mtp180 . . . . . 0 CA--C 1.496 -1.103 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.89 -169.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.727 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 4.9 pt . . . . . 0 N--CA 1.433 -1.314 0 CA-C-O 121.205 0.526 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.7 m -139.87 146.66 39.58 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.414 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 61.1 m -120.22 106.36 11.85 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.087 0.47 . . . . 0.0 111.583 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -95.32 -33.28 12.6 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 174.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.14 157.0 19.18 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.858 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 74.4 mt -107.73 119.14 56.81 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.551 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.7 -39.47 1.76 Allowed Glycine 0 CA--C 1.525 0.669 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.51 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -92.98 10.48 31.17 Favored 'General case' 0 CA--C 1.493 -1.232 0 C-N-CA 124.107 0.963 . . . . 0.0 110.251 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.9 tp10 -84.73 74.59 10.43 Favored 'General case' 0 N--CA 1.404 -2.755 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.418 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -56.71 -33.75 66.8 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 113.699 -1.591 . . . . 0.0 112.209 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.34 -24.3 67.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.199 0.523 . . . . 0.0 110.321 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 t -87.53 -44.8 11.01 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.834 176.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 10' ' ' GLU . 45.0 t -54.91 -41.07 55.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 C-N-CA 123.478 0.711 . . . . 0.0 111.475 -178.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -60.03 -29.16 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.481 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.54 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 72.4 t60 -69.19 -42.32 75.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.297 0.57 . . . . 0.0 109.493 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.752 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 38.4 m -63.58 -42.3 98.31 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.177 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 75.6 mt -68.06 -31.85 71.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.734 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.89 78.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.6 mtpp -70.76 -27.29 63.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.124 178.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.59 30.87 3.63 Favored Glycine 0 CA--C 1.5 -0.844 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.852 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -84.77 162.99 19.39 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -73.95 -19.06 60.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.209 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.16 164.95 18.22 Favored Glycine 0 N--CA 1.418 -2.559 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.069 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.752 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.63 154.31 25.72 Favored Glycine 0 N--CA 1.419 -2.463 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.478 ' CZ3' ' HG2' ' A' ' 37' ' ' ARG . 1.3 p90 -162.54 142.49 9.56 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.285 0.564 . . . . 0.0 109.985 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 91.3 m -85.02 123.21 30.3 Favored 'General case' 0 C--N 1.285 -2.216 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 170.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -90.84 -171.44 3.02 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 119.031 -1.068 . . . . 0.0 109.66 -177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -57.54 -20.91 34.94 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.139 0.975 . . . . 0.0 111.934 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -76.24 -7.22 54.39 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.527 0.731 . . . . 0.0 111.943 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 67.54 23.36 8.95 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.73 0.776 . . . . 0.0 109.478 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 69.5 t -110.42 139.89 31.9 Favored 'Isoleucine or valine' 0 C--O 1.261 1.673 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.952 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.727 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 13.8 m -74.84 120.82 20.91 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 124.81 1.319 . . . . 0.0 110.79 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -119.72 127.4 52.82 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.0 m -116.34 123.41 47.55 Favored 'General case' 0 C--N 1.28 -2.447 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 178.18 -48.1 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.054 0.388 . . . . 0.0 111.869 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 14.3 ptm180 . . . . . 0 C--N 1.31 -1.15 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.478 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 13.8 pt . . . . . 0 N--CA 1.448 -0.549 0 CA-C-O 121.685 0.755 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.9 m -135.5 155.28 50.77 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -175.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.495 ' HB2' ' HE2' ' A' ' 31' ' ' LYS . 68.4 m -113.3 92.53 4.03 Favored 'General case' 0 N--CA 1.417 -2.114 0 CA-C-O 121.665 0.745 . . . . 0.0 111.671 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -88.73 -35.5 16.68 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -115.98 162.39 17.44 Favored 'General case' 0 N--CA 1.409 -2.484 0 CA-C-N 114.244 -1.344 . . . . 0.0 107.843 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.19 119.56 61.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.292 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.51 -37.96 1.86 Allowed Glycine 0 N--CA 1.473 1.123 0 CA-C-O 121.523 0.513 . . . . 0.0 113.302 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -88.31 2.13 53.1 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.4 tp10 -79.49 67.88 5.36 Favored 'General case' 0 N--CA 1.424 -1.775 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.412 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -66.96 -23.7 65.98 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.247 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.53 -23.28 65.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.207 0.527 . . . . 0.0 109.989 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.7 t -86.91 -46.99 9.37 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 10' ' ' GLU . 22.5 t -51.93 -45.03 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.453 0.701 . . . . 0.0 111.251 -178.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.51 -31.31 43.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.077 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.523 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 72.9 t60 -64.39 -43.78 93.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.509 0.671 . . . . 0.0 109.404 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.726 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 60.2 m -69.85 -38.48 76.47 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.073 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.29 -32.16 73.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.876 0.369 . . . . 0.0 110.279 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.36 -35.24 58.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.965 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 30.5 mtpp -72.71 -29.54 63.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.62 0.248 . . . . 0.0 111.506 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.66 39.7 0.65 Allowed Glycine 0 CA--C 1.5 -0.874 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.583 178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -117.73 156.39 28.35 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 123.496 0.718 . . . . 0.0 110.417 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -76.9 -13.9 59.93 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.46 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.35 158.43 9.59 Favored Glycine 0 N--CA 1.416 -2.666 0 C-N-CA 118.695 -1.717 . . . . 0.0 114.601 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.726 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -130.2 149.13 18.83 Favored Glycine 0 N--CA 1.403 -3.543 0 CA-C-N 112.937 -1.631 . . . . 0.0 109.073 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -149.37 164.34 35.2 Favored 'General case' 0 C--N 1.274 -2.688 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.6 m -97.5 120.13 37.31 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.409 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.46 -179.99 3.22 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.473 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -68.88 -9.79 53.51 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 122.097 0.951 . . . . 0.0 110.737 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -83.2 -4.29 58.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.119 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.495 ' HE2' ' HB2' ' A' ' 4' ' ' CYS . 13.4 mmmm 66.27 26.12 10.42 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.226 1.01 . . . . 0.0 111.944 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 t -111.05 138.01 41.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.478 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 14.1 m -73.44 133.77 43.79 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 124.558 1.161 . . . . 0.0 110.876 173.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -136.5 149.46 48.18 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 57.7 m -115.45 121.46 42.81 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 36.6 ttp180 173.63 -16.51 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.371 0.42 . . . . 0.0 111.682 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 . . . . . 0 C--N 1.318 -0.804 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.291 -177.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.524 HD12 ' HB3' ' A' ' 33' ' ' CYS . 9.5 pt . . . . . 0 N--CA 1.427 -1.582 0 CA-C-O 121.129 0.49 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.4 m -133.46 145.23 50.03 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.473 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 65.0 m -134.31 89.17 2.53 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.84 -34.93 15.08 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -113.53 146.04 40.28 Favored 'General case' 0 N--CA 1.416 -2.143 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.279 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.2 mt -85.83 125.69 40.56 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.035 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 171.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.542 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 72.95 -44.66 1.05 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 177.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -84.31 -5.32 59.25 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 123.796 0.838 . . . . 0.0 110.011 -171.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' A' ' 4' ' ' CYS . 10.3 tp10 -72.18 84.68 1.03 Allowed 'General case' 0 N--CA 1.403 -2.815 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.74 -175.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -52.14 -32.96 38.06 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 112.4 -2.182 . . . . 0.0 111.643 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.93 -19.12 63.4 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 t -86.79 -44.26 11.88 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 24.6 t -53.7 -47.99 61.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.836 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.82 -26.83 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.979 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -71.56 -44.08 65.19 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.791 0.805 . . . . 0.0 108.925 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.663 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 53.5 m -69.14 -34.24 74.69 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.752 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 86.7 mt -70.09 -31.54 69.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.406 177.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.13 77.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.316 . . . . 0.0 110.507 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -70.15 -33.4 71.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.23 43.19 0.79 Allowed Glycine 0 C--N 1.304 -1.209 0 C-N-CA 120.094 -1.051 . . . . 0.0 111.401 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -108.31 167.19 10.2 Favored 'General case' 0 C--N 1.29 -2.016 0 C-N-CA 123.503 0.721 . . . . 0.0 110.362 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.52 -31.0 72.03 Favored 'General case' 0 CA--C 1.502 -0.866 0 O-C-N 124.001 0.813 . . . . 0.0 109.039 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.33 -171.05 37.25 Favored Glycine 0 N--CA 1.416 -2.661 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.663 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -149.72 160.25 28.41 Favored Glycine 0 N--CA 1.409 -3.12 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -175.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.542 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.9 p90 -154.69 134.26 12.73 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-O 121.235 0.541 . . . . 0.0 109.629 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.672 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 73.6 m -79.28 124.83 28.75 Favored 'General case' 0 C--N 1.284 -2.268 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 170.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -88.05 -170.22 2.89 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.177 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 m -62.83 -19.77 64.41 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -82.76 -3.85 57.13 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 66.61 30.57 8.28 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.368 1.067 . . . . 0.0 111.091 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.672 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 96.1 t -98.8 134.38 37.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' HB3' HD12 ' A' ' 2' ' ' ILE . 46.0 t -76.94 111.34 12.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -109.55 142.84 40.06 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.5 m -115.59 129.83 56.65 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 170.32 -44.8 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.433 1.093 . . . . 0.0 109.503 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 N--CA 1.435 -1.197 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.937 -169.734 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.6 pt . . . . . 0 N--CA 1.445 -0.688 0 CA-C-O 121.476 0.655 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 m -143.24 154.33 43.72 Favored 'General case' 0 C--N 1.287 -2.129 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.8 m -128.94 93.95 3.72 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-O 121.613 0.721 . . . . 0.0 109.96 173.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.76 -30.92 11.45 Favored 'General case' 0 C--N 1.279 -2.485 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 172.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 85.7 mt -117.32 155.15 30.03 Favored 'General case' 0 N--CA 1.402 -2.837 0 CA-C-N 113.545 -1.661 . . . . 0.0 107.891 175.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.6 mt -113.08 129.82 68.07 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.471 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 80.62 -54.93 4.67 Favored Glycine 0 C--N 1.303 -1.299 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.869 -176.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -90.02 21.09 3.84 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 125.838 1.655 . . . . 0.0 109.099 -172.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.4 tp10 -85.3 85.45 7.45 Favored 'General case' 0 N--CA 1.382 -3.84 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.502 -168.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -53.63 -29.48 38.26 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 112.909 -1.951 . . . . 0.0 113.182 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.59 -20.0 61.38 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.54 0.686 . . . . 0.0 110.334 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 t -87.86 -44.58 10.97 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' GLU . 47.8 t -54.63 -39.15 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.644 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.8 -30.47 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -69.58 -39.15 77.5 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 35.2 m -70.42 -39.36 74.48 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.313 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 95.5 mt -66.43 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.597 0.237 . . . . 0.0 110.365 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.79 -44.08 64.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.54 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -70.57 -23.39 62.59 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.27 46.41 1.71 Allowed Glycine 0 C--N 1.309 -0.96 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.727 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' CG ' ' HB3' ' A' ' 35' ' ' CYS . 32.5 m-85 -107.07 164.07 12.46 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 123.028 0.531 . . . . 0.0 111.074 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.61 -19.68 62.09 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.071 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.93 -174.77 37.59 Favored Glycine 0 N--CA 1.418 -2.538 0 C-N-CA 120.198 -1.001 . . . . 0.0 111.314 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.694 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -150.91 170.06 30.68 Favored Glycine 0 N--CA 1.412 -2.954 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.471 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.2 p90 -163.48 143.59 8.71 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 31' ' ' LYS . 45.1 t -90.2 128.36 36.35 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 174.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.405 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 2.1 p30 -92.09 -175.45 4.08 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.585 -176.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 p -65.01 -19.98 66.27 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -82.75 -2.98 55.86 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 122.186 -0.321 . . . . 0.0 110.341 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 35.3 mmtp 73.15 29.56 1.72 Allowed 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.612 1.165 . . . . 0.0 110.497 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.405 ' HB ' ' OD1' ' A' ' 28' ' ' ASP . 57.3 t -102.08 132.95 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.217 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.0 t -78.73 118.92 21.26 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -118.8 141.93 48.18 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.412 ' HB3' ' CG ' ' A' ' 22' ' ' PHE . 84.1 m -115.66 128.04 55.62 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 39.9 ttm180 174.01 -48.2 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.83 0.852 . . . . 0.0 109.634 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.487 -173.817 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.693 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 15.6 pt . . . . . 0 N--CA 1.432 -1.365 0 CA-C-O 121.898 0.856 . . . . 0.0 112.116 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.0 m -144.25 139.83 28.88 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.489 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 62.7 m -114.85 110.14 19.22 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -99.84 -37.79 8.91 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.2 mt -108.98 159.82 16.52 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.379 175.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.487 HD13 ' HA ' ' A' ' 29' ' ' SER . 95.8 mt -105.46 120.66 56.55 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 CA-C-N 114.462 -1.245 . . . . 0.0 107.64 176.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.98 -38.09 1.52 Allowed Glycine 0 CA--C 1.536 1.363 0 N-CA-C 114.54 0.576 . . . . 0.0 114.54 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -94.0 7.59 44.51 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.011 0.91 . . . . 0.0 110.483 -174.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.1 tp10 -84.44 77.29 10.04 Favored 'General case' 0 N--CA 1.407 -2.614 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.981 -175.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.41 -29.89 66.43 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.567 -177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.06 -21.64 66.38 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.318 0.58 . . . . 0.0 110.531 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 t -87.79 -49.47 7.09 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.185 173.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 10' ' ' GLU . 42.0 t -54.89 -39.34 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.455 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.15 -29.81 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.149 0.579 . . . . 0.0 111.876 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -64.7 -41.93 95.67 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.763 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 39.3 m -72.11 -39.14 69.08 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.895 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 75.6 mt -67.47 -31.43 71.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.24 -43.19 61.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.434 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -64.1 -29.15 70.3 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.55 54.36 0.69 Allowed Glycine 0 CA--C 1.493 -1.341 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -115.95 157.0 25.23 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.805 -0.698 . . . . 0.0 110.812 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -73.84 -14.02 61.02 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.976 0.798 . . . . 0.0 108.946 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.4 154.39 7.43 Favored Glycine 0 N--CA 1.409 -3.161 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.692 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.763 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -131.12 162.15 23.57 Favored Glycine 0 N--CA 1.412 -2.905 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 178.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.536 ' CH2' ' HG2' ' A' ' 37' ' ' ARG . 5.7 p90 -162.22 149.02 13.53 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 117.65 0.725 . . . . 0.0 110.729 -176.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 89.6 m -87.36 122.07 30.64 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 169.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -87.46 -178.54 6.17 Favored 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 119.635 -0.826 . . . . 0.0 108.787 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 7' ' ' ILE . 20.4 t -58.37 -24.36 59.65 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -82.69 2.91 31.29 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.922 -0.486 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 70.4 24.52 4.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.65 1.18 . . . . 0.0 110.597 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.0 t -97.47 136.77 27.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.422 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.693 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 19.7 m -86.87 112.09 21.41 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.709 175.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -115.6 138.28 51.22 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 52.2 m -115.82 118.24 32.46 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 40.3 ttm180 173.97 -12.81 0.0 OUTLIER 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.491 0.494 . . . . 0.0 112.035 -176.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 26.2 mmm180 . . . . . 0 CA--C 1.5 -0.943 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.024 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.933 0 N-CA-C 111.611 -0.596 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.546 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 8.0 pt -67.82 117.56 9.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 CA-C-O 122.041 0.924 . . . . 0.0 111.599 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -124.05 151.77 43.43 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.3 -173.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.1 m -119.55 98.84 6.32 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.073 0.463 . . . . 0.0 111.369 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -90.63 -34.83 15.3 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 73.8 mt -104.83 148.84 26.2 Favored 'General case' 0 N--CA 1.395 -3.222 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.7 mt -108.64 113.93 45.36 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.037 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.55 -40.22 2.85 Favored Glycine 0 C--O 1.216 -1.012 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.044 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -87.03 8.06 25.06 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 122.264 1.031 . . . . 0.0 109.394 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.5 tp10 -83.77 70.31 10.34 Favored 'General case' 0 N--CA 1.416 -2.152 0 CA-C-N 113.936 -1.484 . . . . 0.0 110.527 -173.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.49 -30.32 69.64 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.335 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.87 -23.78 67.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 t -87.99 -45.77 9.92 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.4 t -51.97 -42.19 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 123.598 0.759 . . . . 0.0 111.725 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.89 -31.44 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.537 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -66.4 -41.98 88.52 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.544 0.688 . . . . 0.0 109.451 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.589 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 55.9 m -65.04 -42.89 93.9 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.446 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.13 -32.47 72.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.079 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.51 81.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.988 0.423 . . . . 0.0 110.283 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -69.68 -33.47 72.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.993 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.46 19.47 4.19 Favored Glycine 0 C--N 1.31 -0.906 0 C-N-CA 120.026 -1.083 . . . . 0.0 112.252 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -81.24 159.7 24.47 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 122.382 0.273 . . . . 0.0 110.317 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.48 -27.86 68.88 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.74 -172.92 38.02 Favored Glycine 0 N--CA 1.417 -2.609 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.589 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -149.34 165.02 29.42 Favored Glycine 0 N--CA 1.414 -2.826 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -177.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -159.53 153.0 22.49 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 92.8 m -96.58 128.6 43.67 Favored 'General case' 0 C--N 1.281 -2.371 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 173.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.74 -175.63 4.45 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.994 -0.682 . . . . 0.0 109.973 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -57.99 -25.43 61.03 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 123.432 0.693 . . . . 0.0 112.652 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -79.1 0.12 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.088 -0.382 . . . . 0.0 111.742 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt 69.65 22.25 6.28 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.552 0.741 . . . . 0.0 110.416 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 59.0 t -102.58 140.19 21.59 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.569 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.546 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.2 m -75.38 121.68 22.63 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.518 174.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -124.79 137.27 54.32 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 55.8 m -115.8 130.14 56.72 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 35.2 ttm180 172.36 -39.45 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.916 0.76 . . . . 0.0 109.797 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 . . . . . 0 C--N 1.314 -0.975 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.649 -173.794 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.06 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.495 HD12 ' HB2' ' A' ' 33' ' ' CYS . 14.5 pt -66.28 133.75 30.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 121.587 0.708 . . . . 0.0 112.781 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.6 m -145.14 148.33 33.47 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.0 m -115.77 110.11 18.62 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.423 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -95.76 -47.11 6.31 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 171.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.7 mt -112.62 172.14 7.1 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.531 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.96 129.74 71.82 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.611 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.8 -46.37 2.61 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.742 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.1 12.81 20.82 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 122.199 1.0 . . . . 0.0 109.607 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.5 tp10 -87.16 77.08 9.14 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.861 -173.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -56.73 -35.23 68.32 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.606 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.89 -18.49 64.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.523 0.678 . . . . 0.0 110.982 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 6.2 t -86.07 -46.4 10.51 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 173.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 10' ' ' GLU . 47.5 t -55.58 -36.63 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.014 0.926 . . . . 0.0 111.622 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -61.17 -24.23 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.055 0.455 . . . . 0.0 112.07 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.58 -41.14 76.21 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.012 0.91 . . . . 0.0 109.009 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.78 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 33.9 m -68.04 -38.85 82.99 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.343 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 77.6 mt -66.3 -32.28 73.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.019 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.63 71.01 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.608 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.08 -22.22 60.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.97 15.06 12.31 Favored Glycine 0 CA--C 1.505 -0.556 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.886 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -73.47 158.98 33.91 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -69.08 -17.92 63.93 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.18 177.27 35.08 Favored Glycine 0 N--CA 1.415 -2.709 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.441 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.78 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -153.52 166.28 31.69 Favored Glycine 0 N--CA 1.406 -3.322 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.703 ' CE3' ' HG2' ' A' ' 37' ' ' ARG . 1.6 p90 -163.85 145.9 9.28 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 t -86.1 131.52 34.24 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 172.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -98.16 -174.08 2.76 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.754 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.5 p -60.7 -25.39 66.37 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -80.64 2.88 23.92 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 68.79 26.25 6.07 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.053 0.941 . . . . 0.0 109.009 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.49 137.03 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.343 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.937 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' A' ' 2' ' ' ILE . 32.3 m -86.4 123.19 31.36 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.094 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -117.85 137.73 52.58 Favored 'General case' 0 CA--C 1.483 -1.618 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.7 m -116.98 129.74 56.23 Favored 'General case' 0 C--N 1.275 -2.636 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 174.74 -54.38 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 O-C-N 123.909 0.756 . . . . 0.0 109.899 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.703 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 11.7 ptm180 . . . . . 0 N--CA 1.421 -1.9 0 CA-C-O 117.844 -1.074 . . . . 0.0 112.526 -169.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.179 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.49 HD12 ' CB ' ' A' ' 33' ' ' CYS . 7.6 pt -92.69 135.21 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.325 0 CA-C-O 121.17 0.509 . . . . 0.0 110.554 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.8 m -142.99 150.31 39.47 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m -109.96 122.24 47.09 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 121.5 0.667 . . . . 0.0 112.363 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -113.91 -36.67 4.73 Favored 'General case' 0 C--N 1.285 -2.231 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 168.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.85 156.96 20.38 Favored 'General case' 0 N--CA 1.41 -2.473 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.436 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -114.86 121.2 66.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.741 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.55 -43.06 2.5 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.797 -176.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -90.92 12.38 19.72 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 122.446 1.117 . . . . 0.0 109.709 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.2 tp10 -85.71 68.04 10.26 Favored 'General case' 0 N--CA 1.411 -2.399 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.454 -174.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 26.5 ttm180 -63.82 -26.82 68.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.494 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.97 -21.55 66.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.408 0.623 . . . . 0.0 109.758 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.9 t -87.97 -43.75 11.52 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-O 121.401 0.62 . . . . 0.0 109.653 173.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 10' ' ' GLU . 50.8 t -53.54 -36.71 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.211 1.004 . . . . 0.0 111.927 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 p -53.71 -32.99 22.07 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.772 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.599 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 63.9 t60 -68.01 -43.67 78.3 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.168 0.509 . . . . 0.0 110.643 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.627 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 59.7 m -65.12 -40.57 94.65 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.625 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.03 -31.99 72.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.223 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.4 -42.04 75.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.599 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 30.5 mtpp -66.43 -27.36 67.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.901 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.99 19.69 7.55 Favored Glycine 0 CA--C 1.498 -0.97 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.505 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -82.56 159.43 22.79 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 122.89 0.476 . . . . 0.0 110.96 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -58.87 -29.05 66.7 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 124.541 1.151 . . . . 0.0 108.682 174.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.63 -169.39 37.09 Favored Glycine 0 N--CA 1.409 -3.118 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.627 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -155.06 171.2 33.3 Favored Glycine 0 N--CA 1.415 -2.732 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -163.26 161.27 24.69 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.3 t -105.39 133.4 50.22 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -97.16 179.93 4.74 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.9 m -59.44 -18.08 36.41 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -80.21 -2.6 45.59 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.015 -0.428 . . . . 0.0 110.829 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp 70.14 29.88 3.65 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.752 0.821 . . . . 0.0 109.425 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -111.71 136.49 47.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.614 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.49 ' CB ' HD12 ' A' ' 2' ' ' ILE . 8.1 m -83.29 132.66 35.01 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.994 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -128.27 144.4 51.12 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 81.4 m -116.3 128.48 55.6 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.261 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 34.5 ttm180 171.95 -43.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.316 0.646 . . . . 0.0 110.535 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 CA--C 1.501 -0.918 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.063 -173.05 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.218 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.754 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.1 pt -62.16 118.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 122.292 1.044 . . . . 0.0 112.1 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.6 m -128.81 142.92 50.82 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.4 m -116.31 104.14 11.18 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.404 0.621 . . . . 0.0 112.01 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -93.66 -36.99 12.07 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 173.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.4 mt -111.93 158.95 18.87 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.755 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.549 HD13 ' HA ' ' A' ' 29' ' ' SER . 70.1 mt -106.71 119.06 55.62 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.522 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.61 -41.26 2.1 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 116.158 -0.474 . . . . 0.0 113.7 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -88.93 7.43 34.57 Favored 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 124.302 1.041 . . . . 0.0 109.466 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.2 tp10 -81.75 75.28 8.7 Favored 'General case' 0 N--CA 1.405 -2.702 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.495 -174.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.43 -34.26 66.64 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 113.502 -1.681 . . . . 0.0 112.064 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.34 -21.67 66.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.075 0.465 . . . . 0.0 110.94 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.4 t -87.67 -47.81 8.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 10' ' ' GLU . 21.3 t -53.63 -43.59 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.48 0.712 . . . . 0.0 111.263 -177.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.05 -31.84 42.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.696 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.493 ' NE2' ' HE2' ' A' ' 20' ' ' LYS . 81.8 t60 -73.41 -41.02 63.82 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.68 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 62.9 m -63.21 -41.42 99.15 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.81 -32.04 73.35 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.236 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.71 -45.27 72.01 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.342 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' HE2' ' NE2' ' A' ' 16' ' ' HIS . 60.5 mttm -67.16 -23.86 65.82 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.842 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.04 9.74 11.74 Favored Glycine 0 CA--C 1.493 -1.309 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.405 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -76.07 155.14 35.08 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 122.457 0.303 . . . . 0.0 110.968 178.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -69.47 -12.77 61.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 37' ' ' ARG . . . 161.44 -175.0 38.07 Favored Glycine 0 CA--C 1.48 -2.139 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 175.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.68 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -159.5 152.2 23.11 Favored Glycine 0 CA--C 1.481 -2.064 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -146.53 150.25 35.18 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -175.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 97.9 m -90.36 130.61 36.43 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 169.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.464 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 2.0 p30 -87.5 -177.0 5.79 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.549 ' HA ' HD13 ' A' ' 7' ' ' ILE . 14.5 t -55.77 -27.74 52.47 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.88 0.872 . . . . 0.0 112.829 -176.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -85.32 7.48 22.13 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.933 -0.479 . . . . 0.0 111.542 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 65.88 34.47 7.22 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.523 0.729 . . . . 0.0 109.554 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 59.6 t -108.77 134.27 51.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.754 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 10.4 m -77.84 126.55 31.02 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 123.611 0.57 . . . . 0.0 110.517 175.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -130.29 139.36 50.74 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 59.5 m -113.76 129.9 56.52 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.907 -178.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 166.67 -31.57 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.878 1.671 . . . . 0.0 109.454 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' O ' ' HA3' ' A' ' 24' ' ' GLY . 59.1 mtm180 . . . . . 0 CA--C 1.506 -0.749 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.097 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.63 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.776 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 8.5 pt -92.48 120.13 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 121.677 0.751 . . . . 0.0 111.261 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.7 m -140.47 142.0 35.37 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.422 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 61.4 m -115.38 107.79 15.68 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.625 0.726 . . . . 0.0 112.8 -177.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -93.21 -34.7 13.48 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -109.77 164.48 12.52 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.648 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.0 mt -111.38 114.03 45.94 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.26 -37.98 2.02 Favored Glycine 0 C--N 1.305 -1.178 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.466 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -89.59 10.53 22.71 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 122.542 1.163 . . . . 0.0 109.6 -175.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.7 tp10 -86.48 76.09 9.65 Favored 'General case' 0 N--CA 1.392 -3.373 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.509 -174.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -56.22 -29.67 61.29 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.56 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.95 -26.66 68.68 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.368 0.604 . . . . 0.0 110.529 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -87.25 -47.01 9.19 Favored 'General case' 0 N--CA 1.422 -1.837 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 10' ' ' GLU . 36.2 t -56.99 -37.88 57.08 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.497 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.62 -27.4 42.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.532 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -70.28 -41.76 72.98 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.84 0.829 . . . . 0.0 109.02 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.711 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 30.7 m -63.66 -45.4 90.32 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.231 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.31 -31.16 71.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.377 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.24 71.99 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.346 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -66.81 -37.52 84.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.846 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.96 29.99 0.91 Allowed Glycine 0 C--N 1.307 -1.061 0 C-N-CA 119.927 -1.13 . . . . 0.0 112.09 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -88.61 159.09 18.04 Favored 'General case' 0 CA--C 1.479 -1.788 0 CA-C-O 120.938 0.399 . . . . 0.0 111.104 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -72.16 -17.47 61.94 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.122 -0.944 . . . . 0.0 108.774 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.63 177.51 34.76 Favored Glycine 0 N--CA 1.417 -2.574 0 C-N-CA 119.936 -1.126 . . . . 0.0 111.483 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.711 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -147.86 167.03 28.82 Favored Glycine 0 N--CA 1.415 -2.722 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.69 ' CE3' ' HG2' ' A' ' 37' ' ' ARG . 3.5 p90 -163.89 154.28 15.31 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 91.8 m -96.45 123.98 40.29 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -82.57 -179.4 7.41 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 m -54.91 -27.65 44.78 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.229 1.012 . . . . 0.0 113.442 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -84.35 4.66 30.24 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.319 -0.238 . . . . 0.0 111.184 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 70.28 24.44 4.79 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.623 0.769 . . . . 0.0 111.24 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 61.6 t -97.21 134.42 35.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.526 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.776 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 5.8 m -80.1 122.97 27.44 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.99 176.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -128.69 134.53 48.52 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.5 m -116.69 130.07 56.51 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 174.74 -61.36 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.404 0 O-C-N 123.873 0.733 . . . . 0.0 110.115 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.69 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 11.7 ptm180 . . . . . 0 C--O 1.253 1.239 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.494 -170.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.479 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.689 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 7.2 pt -92.4 117.92 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.191 0 CA-C-O 122.019 0.914 . . . . 0.0 110.966 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.2 m -136.12 153.15 51.38 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.45 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 63.4 m -121.96 99.28 6.36 Favored 'General case' 0 N--CA 1.422 -1.853 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.476 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -84.9 -35.86 21.86 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 82.5 mt -110.32 150.74 28.32 Favored 'General case' 0 N--CA 1.41 -2.437 0 CA-C-N 114.014 -1.448 . . . . 0.0 107.648 176.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.5 mt -102.88 117.72 48.7 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.64 -42.6 3.06 Favored Glycine 0 C--N 1.309 -0.953 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.604 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -89.14 10.88 20.29 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 122.278 1.037 . . . . 0.0 109.433 -175.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.7 tp10 -86.22 78.06 9.42 Favored 'General case' 0 N--CA 1.396 -3.165 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.963 -172.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.91 -21.46 63.4 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.782 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.19 -24.4 63.12 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 109.54 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.55 -48.09 8.2 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.211 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.7 t -54.74 -37.85 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.771 0.828 . . . . 0.0 111.804 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -57.06 -30.16 33.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.734 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.494 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 80.8 t60 -67.33 -44.35 79.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.283 0.563 . . . . 0.0 109.582 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.592 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 34.0 m -65.9 -40.55 91.61 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.602 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.38 -31.44 69.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.81 -40.66 68.98 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.309 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.9 mtpp -71.07 -28.01 64.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.433 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.26 20.98 5.37 Favored Glycine 0 CA--C 1.499 -0.959 0 C-N-CA 119.569 -1.3 . . . . 0.0 112.745 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -79.24 169.2 18.48 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 120.935 0.398 . . . . 0.0 111.024 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 6.4 tpm_? -75.69 -20.02 58.7 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.69 -171.88 37.75 Favored Glycine 0 N--CA 1.422 -2.269 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.746 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.592 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -153.32 165.88 31.47 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -177.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.448 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 5.9 p90 -163.47 153.65 15.59 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 76.3 m -92.5 134.31 35.09 Favored 'General case' 0 C--N 1.278 -2.509 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 170.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.31 -177.78 5.2 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 p -62.04 -21.06 64.6 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -83.7 6.94 19.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.031 -0.418 . . . . 0.0 110.538 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt 68.69 19.62 8.46 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.382 0.673 . . . . 0.0 110.944 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.1 t -95.66 136.92 25.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.689 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.0 m -80.0 118.17 21.49 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.254 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -117.86 139.98 50.35 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.63 125.99 53.59 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 121.362 -0.135 . . . . 0.0 110.66 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 32.2 ttm180 173.95 -54.62 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 124.848 1.259 . . . . 0.0 110.364 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 123.016 0.527 . . . . 0.0 112.003 -173.359 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.158 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.518 HD12 ' HB2' ' A' ' 33' ' ' CYS . 9.3 pt -64.33 117.99 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-O 121.894 0.854 . . . . 0.0 111.858 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -134.53 157.01 47.64 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.5 m -123.1 91.15 3.43 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.679 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -87.15 -35.26 18.72 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 176.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 94.7 mt -134.07 170.1 16.15 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 114.228 -1.351 . . . . 0.0 107.42 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mt -117.77 132.95 66.08 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.144 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.42 -47.26 3.79 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-O 121.425 0.458 . . . . 0.0 112.094 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -91.46 7.65 40.17 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 122.043 0.925 . . . . 0.0 109.437 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.5 tp10 -83.31 73.22 10.15 Favored 'General case' 0 N--CA 1.413 -2.303 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.371 -175.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -61.43 -30.53 70.63 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 113.438 -1.71 . . . . 0.0 111.808 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.85 -18.46 62.71 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.091 0.472 . . . . 0.0 111.107 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' CB ' ' HG3' ' A' ' 10' ' ' GLU . 15.2 t -83.86 -48.34 10.14 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 173.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 10' ' ' GLU . 28.6 t -55.92 -39.41 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.353 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.17 -28.06 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.035 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 45.3 t60 -67.73 -42.89 81.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.53 0.681 . . . . 0.0 109.185 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.609 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 60.6 m -66.13 -37.51 85.89 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.021 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.66 -32.03 71.58 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.478 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.81 -35.8 70.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.999 0.428 . . . . 0.0 110.179 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 31.0 mtpp -70.33 -33.72 71.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.018 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.82 32.17 2.53 Favored Glycine 0 C--N 1.312 -0.798 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -98.95 157.66 16.17 Favored 'General case' 0 CA--C 1.488 -1.432 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.75 -22.91 67.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.26 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.56 176.47 33.69 Favored Glycine 0 CA--C 1.487 -1.715 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.671 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.609 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -146.41 160.27 28.16 Favored Glycine 0 N--CA 1.421 -2.351 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.458 ' CH2' ' HG2' ' A' ' 37' ' ' ARG . 7.3 p90 -160.69 151.31 18.35 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.9 m -84.88 135.23 34.16 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -98.95 -176.25 3.28 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 m -59.64 -20.32 55.25 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -84.9 3.21 39.17 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.032 -0.418 . . . . 0.0 111.488 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 71.03 14.91 6.73 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.494 1.118 . . . . 0.0 110.437 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -94.58 133.85 34.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB2' HD12 ' A' ' 2' ' ' ILE . 7.1 m -84.98 127.43 34.19 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.826 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -123.98 148.46 46.94 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.7 m -115.83 122.62 45.95 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 78.1 ttt180 176.26 -53.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.685 0.394 . . . . 0.0 110.307 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 30.3 mmm180 . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 118.839 -0.6 . . . . 0.0 112.067 -171.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.866 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.728 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 9.2 pt -74.06 121.78 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 CA-C-O 121.506 0.67 . . . . 0.0 110.677 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m -139.37 135.47 33.74 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 64.2 m -103.52 112.12 24.88 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.806 0.812 . . . . 0.0 112.944 -177.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -97.23 -49.06 5.1 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -106.32 162.9 13.27 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.89 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.4 mt -105.08 125.62 60.11 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.924 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.39 -44.77 1.98 Allowed Glycine 0 CA--C 1.533 1.218 0 N-CA-C 114.152 0.421 . . . . 0.0 114.152 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -97.76 19.46 13.64 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-O 121.952 0.882 . . . . 0.0 110.437 -172.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 14' ' ' VAL . 14.3 tp10 -85.46 75.59 10.17 Favored 'General case' 0 N--CA 1.396 -3.164 0 CA-C-O 122.483 1.135 . . . . 0.0 110.054 -176.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -55.35 -34.23 64.08 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 113.568 -1.651 . . . . 0.0 112.395 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.4 -21.42 65.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.761 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -88.03 -49.17 7.22 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 10' ' ' GLU . 44.0 t -51.59 -40.18 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.351 1.061 . . . . 0.0 112.61 -176.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 p -52.19 -31.6 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 122.978 0.511 . . . . 0.0 112.098 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.591 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 71.7 t60 -68.27 -44.87 74.6 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 121.157 0.503 . . . . 0.0 110.309 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.611 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 55.6 m -67.76 -36.04 79.79 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.312 0.577 . . . . 0.0 109.906 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.12 -30.86 70.11 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.79 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.39 -38.21 65.7 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.565 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.591 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.3 mtpp -70.12 -26.24 63.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 110.709 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.66 24.92 6.79 Favored Glycine 0 CA--C 1.503 -0.685 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.576 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -86.09 165.25 16.76 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.108 0.563 . . . . 0.0 111.921 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -60.79 -28.11 68.51 Favored 'General case' 0 CA--C 1.502 -0.888 0 O-C-N 124.017 0.823 . . . . 0.0 109.352 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.25 -175.69 37.85 Favored Glycine 0 N--CA 1.401 -3.659 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.611 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -143.48 165.31 27.16 Favored Glycine 0 N--CA 1.406 -3.317 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -161.37 150.49 16.31 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.8 m -90.89 122.12 33.32 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 168.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.32 179.87 6.69 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.2 t -66.38 -30.54 70.94 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -75.8 5.06 6.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.189 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 64.95 25.89 12.74 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.849 1.26 . . . . 0.0 111.323 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -100.07 131.98 46.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.063 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.728 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 1.5 m -78.62 110.66 13.94 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 124.295 0.997 . . . . 0.0 109.812 174.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -118.76 145.55 45.49 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.56 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 85.8 m -115.46 121.37 42.52 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 77.4 ttt180 172.68 -42.35 0.01 OUTLIER 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.026 0.829 . . . . 0.0 110.467 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.463 -174.522 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.038 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.532 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 pt -82.78 116.59 27.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-O 122.284 1.04 . . . . 0.0 112.213 -178.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.9 m -144.01 145.36 32.16 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.9 m -105.08 98.85 8.5 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -93.77 -35.68 12.65 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 94.4 mt -118.37 148.05 42.91 Favored 'General case' 0 N--CA 1.425 -1.719 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 174.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -95.47 115.61 34.93 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.751 0 CA-C-O 121.214 0.53 . . . . 0.0 109.792 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.19 -38.42 2.22 Favored Glycine 0 C--N 1.303 -1.27 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.604 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.57 6.24 24.58 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 122.565 1.174 . . . . 0.0 109.137 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 14.4 tp10 -81.89 72.53 8.94 Favored 'General case' 0 N--CA 1.405 -2.716 0 CA-C-N 113.572 -1.649 . . . . 0.0 109.771 -175.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -59.46 -30.97 68.89 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.305 -1.316 . . . . 0.0 112.165 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.04 -19.13 65.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.04 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' CB ' ' HG3' ' A' ' 10' ' ' GLU . 15.7 t -86.34 -50.76 6.68 Favored 'General case' 0 N--CA 1.435 -1.195 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 21.6 t -55.02 -39.84 51.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.374 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.02 -27.6 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -70.79 -40.6 72.45 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.741 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 24.9 m -65.93 -43.43 88.11 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.095 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 84.3 mt -65.32 -31.76 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.439 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.89 -43.91 74.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.144 0.497 . . . . 0.0 110.119 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -69.85 -18.55 63.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.063 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.61 9.61 20.89 Favored Glycine 0 CA--C 1.491 -1.435 0 C-N-CA 119.954 -1.117 . . . . 0.0 112.357 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -75.23 159.54 31.43 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 122.801 0.44 . . . . 0.0 110.924 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -73.74 -23.81 59.8 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.32 171.18 28.14 Favored Glycine 0 C--O 1.279 2.965 0 C-N-CA 118.268 -1.92 . . . . 0.0 114.686 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.741 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -139.89 153.61 23.33 Favored Glycine 0 N--CA 1.405 -3.425 0 CA-C-N 112.607 -1.796 . . . . 0.0 110.359 -175.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 37' ' ' ARG . 8.6 p90 -152.89 154.35 34.9 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 81.2 m -86.65 122.21 30.24 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -86.23 -172.74 4.21 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 p -59.49 -24.41 63.58 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 -88.3 5.61 41.06 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.454 0.301 . . . . 0.0 110.977 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 67.37 26.2 8.49 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.967 0.907 . . . . 0.0 110.774 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 61.4 t -101.2 134.39 41.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.243 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.532 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 8.4 m -78.62 118.87 21.13 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.218 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 17.3 m-80 -116.29 133.31 56.16 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 27.2 m -115.02 121.62 43.68 Favored 'General case' 0 C--N 1.275 -2.635 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 173.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 73.8 ttt180 177.18 -22.55 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 119.595 -0.842 . . . . 0.0 112.214 -173.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 14.3 ptm180 . . . . . 0 N--CA 1.423 -1.793 0 CA-C-O 117.191 -1.385 . . . . 0.0 110.997 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.731 0 N-CA-C 112.331 -0.308 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.439 ' H ' HG12 ' A' ' 2' ' ' ILE . 3.8 pt -72.75 145.76 11.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.009 0.433 . . . . 0.0 111.708 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m -137.47 145.18 42.77 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -175.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.6 m -108.28 121.78 45.61 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 120.88 0.371 . . . . 0.0 110.797 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -98.92 -45.83 5.84 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 173.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -106.51 169.47 8.5 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.629 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.5 mt -113.9 131.62 65.28 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.47 -36.6 0.98 Allowed Glycine 0 CA--C 1.537 1.428 0 N-CA-C 114.664 0.626 . . . . 0.0 114.664 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -103.72 13.15 33.7 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 121.677 0.751 . . . . 0.0 110.738 -173.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 14' ' ' VAL . 14.9 tp10 -86.54 65.62 9.12 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-O 122.263 1.03 . . . . 0.0 110.729 -175.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 40.4 ttm180 -64.07 -25.5 68.13 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.114 -176.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.7 -23.97 67.42 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.8 t -88.01 -39.66 14.49 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.442 173.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 25' ' ' GLY . 50.1 t -54.59 -35.2 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.014 0.926 . . . . 0.0 111.599 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 p -55.43 -32.29 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.554 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -65.8 -43.39 88.82 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.576 0.703 . . . . 0.0 110.046 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.757 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 26.1 m -66.27 -40.09 89.89 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.61 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -69.39 -31.75 70.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.424 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.58 69.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.31 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -74.51 -28.67 61.09 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.048 0.451 . . . . 0.0 110.935 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.11 24.53 6.84 Favored Glycine 0 N--CA 1.431 -1.692 0 C-N-CA 119.932 -1.128 . . . . 0.0 111.78 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -82.42 162.37 22.15 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 123.012 0.525 . . . . 0.0 109.777 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' HB2' ' OXT' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -76.32 -18.87 58.72 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.05 166.26 21.55 Favored Glycine 0 N--CA 1.401 -3.661 0 CA-C-O 122.96 1.311 . . . . 0.0 114.66 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.757 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -140.91 154.17 24.24 Favored Glycine 0 N--CA 1.396 -3.99 0 CA-C-N 112.266 -1.967 . . . . 0.0 108.671 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.464 ' HZ3' ' H ' ' A' ' 37' ' ' ARG . 4.7 p90 -162.29 151.19 15.22 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 81.2 m -87.68 123.25 32.32 Favored 'General case' 0 C--N 1.28 -2.414 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -91.26 -174.49 3.96 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -60.09 -22.85 63.26 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -84.06 3.97 32.22 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.123 -0.361 . . . . 0.0 111.183 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 68.89 22.9 6.96 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.603 0.761 . . . . 0.0 110.528 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.6 t -98.57 132.94 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.283 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.677 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.4 m -76.57 116.67 17.46 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.577 171.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.545 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 19.2 m-80 -118.54 112.69 20.21 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.3 m -97.75 114.05 25.96 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 103.735 -2.691 . . . . 0.0 103.735 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -165.67 -38.53 0.03 OUTLIER 'General case' 0 CA--C 1.492 -1.27 0 C-N-CA 117.441 -1.703 . . . . 0.0 111.868 -170.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.522 ' OXT' ' HB2' ' A' ' 23' ' ' ARG . 16.9 ptt180 . . . . . 0 C--N 1.294 -1.844 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.156 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.601 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.6 pt -69.02 121.59 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 121.694 0.759 . . . . 0.0 111.643 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.7 m -142.97 144.5 32.36 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.7 m -121.5 113.56 20.0 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.576 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -109.12 -28.69 8.92 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 173.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.1 mt -112.24 168.33 9.71 Favored 'General case' 0 N--CA 1.405 -2.687 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -127.66 119.02 50.76 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.501 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.15 -38.41 2.73 Favored Glycine 0 C--O 1.221 -0.704 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -89.6 0.56 56.85 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 122.525 1.155 . . . . 0.0 107.945 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.0 tp10 -84.26 67.09 9.66 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.268 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 16.3 tpp180 -66.35 -23.29 66.32 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.452 -174.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.3 -24.29 67.25 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.621 176.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 t -86.98 -47.06 9.27 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' HB ' ' HD3' ' A' ' 11' ' ' ARG . 26.0 t -57.67 -35.42 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.508 -177.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.09 -25.76 38.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.451 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 78.5 t60 -69.85 -38.19 76.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.966 0.888 . . . . 0.0 109.135 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.823 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 30.1 m -67.39 -40.23 85.64 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.001 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.72 -31.59 71.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.294 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.59 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.768 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HE3' ' NE2' ' A' ' 16' ' ' HIS . 95.3 mttt -66.67 -38.37 86.68 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.624 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.57 42.76 0.52 Allowed Glycine 0 C--N 1.306 -1.096 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -104.58 162.16 13.5 Favored 'General case' 0 CA--C 1.477 -1.861 0 C-N-CA 122.779 0.432 . . . . 0.0 110.223 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -83.69 -11.17 57.55 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.13 164.97 19.43 Favored Glycine 0 N--CA 1.405 -3.418 0 C-N-CA 119.265 -1.445 . . . . 0.0 113.501 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.823 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.39 154.95 26.07 Favored Glycine 1 N--CA 1.391 -4.33 0 CA-C-N 112.835 -1.683 . . . . 0.0 108.994 -177.254 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.454 ' CH2' ' HG3' ' A' ' 37' ' ' ARG . 5.8 p90 -154.17 155.91 36.2 Favored 'General case' 0 C--N 1.275 -2.64 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -175.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -90.25 126.84 35.97 Favored 'General case' 0 C--N 1.276 -2.593 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 175.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' OD2' ' HB ' ' A' ' 32' ' ' VAL . 2.3 p30 -84.7 179.08 7.43 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.034 -1.066 . . . . 0.0 108.217 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 m -61.36 -14.52 28.13 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -91.71 5.5 49.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.091 -0.381 . . . . 0.0 110.018 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 70.0 18.31 7.21 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.161 0.984 . . . . 0.0 111.495 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.439 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 86.8 t -87.41 132.65 32.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.369 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.601 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 9.2 m -77.97 116.31 18.36 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.562 176.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -117.15 127.54 54.22 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.9 m -112.4 121.41 44.77 Favored 'General case' 0 C--N 1.282 -2.331 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 179.52 -28.77 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.664 -170.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.454 ' HG3' ' CH2' ' A' ' 26' ' ' TRP . 74.7 mtp180 . . . . . 0 N--CA 1.432 -1.339 0 CA-C-O 119.028 -0.511 . . . . 0.0 109.949 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.966 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 pt -66.9 122.85 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 CA-C-O 121.931 0.872 . . . . 0.0 111.558 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.8 m -123.2 144.59 49.27 Favored 'General case' 0 C--N 1.269 -2.902 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.6 m -127.74 82.32 2.08 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-O 121.79 0.805 . . . . 0.0 109.899 175.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -94.13 -30.42 14.65 Favored 'General case' 0 C--N 1.284 -2.276 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 93.6 mt -111.5 147.77 34.6 Favored 'General case' 0 N--CA 1.402 -2.873 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.536 174.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.1 mt -103.18 127.63 56.89 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.061 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.469 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 79.4 -47.73 3.27 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 121.329 -0.462 . . . . 0.0 114.017 -178.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -95.04 19.52 10.31 Favored 'General case' 0 CA--C 1.487 -1.451 0 C-N-CA 124.226 1.01 . . . . 0.0 110.388 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.4 tp10 -90.31 82.39 5.97 Favored 'General case' 1 N--CA 1.378 -4.026 0 CA-C-O 122.426 1.108 . . . . 0.0 112.021 -171.845 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -56.03 -28.68 58.43 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.258 -1.792 . . . . 0.0 112.413 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.16 -25.63 67.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.503 0.668 . . . . 0.0 110.491 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.4 t -86.82 -45.51 10.82 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.9 t -51.52 -46.24 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.834 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.08 -26.6 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.91 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.497 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 80.0 t60 -73.43 -40.45 64.21 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 61.1 m -67.15 -36.11 81.13 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.336 177.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 90.6 mt -69.35 -32.44 71.52 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.13 80.69 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.669 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HE3' ' NE2' ' A' ' 16' ' ' HIS . 91.3 mttt -72.36 -37.79 68.72 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.07 52.68 0.31 Allowed Glycine 0 C--N 1.305 -1.15 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.8 163.26 20.56 Favored 'General case' 0 CA--C 1.485 -1.54 0 C-N-CA 123.281 0.632 . . . . 0.0 111.556 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -64.56 -28.89 69.94 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.44 -170.76 37.28 Favored Glycine 0 N--CA 1.417 -2.618 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.694 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -148.57 166.61 29.18 Favored Glycine 0 N--CA 1.416 -2.66 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.394 -176.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.469 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.4 p90 -154.22 134.79 13.51 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 88.8 m -80.12 127.04 31.85 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 169.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -92.84 -171.4 2.71 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -60.77 -25.45 66.53 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 123.749 0.82 . . . . 0.0 112.416 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -76.31 -6.56 52.06 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.285 -0.259 . . . . 0.0 111.074 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 69.68 26.95 4.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.08 0.952 . . . . 0.0 110.225 -176.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 92.9 t -99.69 137.06 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.108 177.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.58 114.69 17.72 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -114.08 142.6 46.0 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.87 124.85 51.68 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 12.8 ttp180 169.96 -42.51 0.0 OUTLIER 'General case' 0 C--N 1.355 0.826 0 C-N-CA 125.462 1.505 . . . . 0.0 110.429 177.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 118.942 -0.552 . . . . 0.0 110.775 -175.695 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.244 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 pt -72.96 134.76 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-O 121.406 0.622 . . . . 0.0 111.349 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.6 m -143.3 162.24 36.2 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -137.29 94.95 3.0 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 118.498 0.59 . . . . 0.0 111.525 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -103.17 -34.6 8.78 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 170.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 91.1 mt -107.16 146.23 31.59 Favored 'General case' 0 N--CA 1.41 -2.445 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.023 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.9 mt -97.73 127.77 49.74 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.147 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 -42.68 1.85 Allowed Glycine 0 CA--C 1.536 1.369 0 N-CA-C 115.145 0.818 . . . . 0.0 115.145 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -97.28 14.33 26.44 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 122.724 1.25 . . . . 0.0 109.877 -174.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.5 tp10 -83.54 85.52 7.24 Favored 'General case' 0 N--CA 1.386 -3.668 0 CA-C-N 114.189 -1.369 . . . . 0.0 111.225 -174.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -50.49 -30.95 13.99 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.161 -1.836 . . . . 0.0 113.194 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.46 -24.79 67.74 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 121.598 0.714 . . . . 0.0 110.857 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -87.14 -49.36 7.35 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.762 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 25' ' ' GLY . 21.6 t -52.3 -46.85 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.515 -177.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -60.77 -29.98 46.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.871 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.413 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 63.5 t60 -69.55 -43.26 73.33 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.734 0.778 . . . . 0.0 109.393 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.673 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 58.8 m -70.59 -36.24 73.45 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.118 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.78 -32.8 74.32 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.8 -34.01 66.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.3 0.572 . . . . 0.0 110.485 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 28.6 mtpp -76.51 -24.78 53.73 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.561 177.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.84 25.03 4.68 Favored Glycine 0 C--N 1.315 -0.637 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.627 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -97.07 159.89 14.65 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 122.482 0.313 . . . . 0.0 110.723 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -56.21 -28.95 60.17 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 123.829 0.706 . . . . 0.0 110.055 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.23 -177.17 37.67 Favored Glycine 0 N--CA 1.403 -3.513 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.673 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -142.04 154.91 25.23 Favored Glycine 0 N--CA 1.405 -3.398 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.459 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 5.6 p90 -143.37 135.48 26.9 Favored 'General case' 0 C--N 1.274 -2.692 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 -177.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' A' ' 31' ' ' LYS . 53.7 t -83.81 123.38 29.83 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 172.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -89.66 -175.21 4.59 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.18 -175.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -59.11 -25.33 63.73 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.971 0.908 . . . . 0.0 112.283 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -80.03 -3.82 50.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.929 0.491 . . . . 0.0 110.889 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 34.7 mmtp 67.49 35.7 4.1 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.53 1.132 . . . . 0.0 110.391 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 98.2 t -108.73 136.31 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 CA-C-N 114.467 -1.242 . . . . 0.0 107.773 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.8 t -79.17 112.82 16.77 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -110.88 144.37 40.04 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 64.1 m -114.99 126.14 54.41 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.895 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 71.6 ttt180 169.15 -37.17 0.0 OUTLIER 'General case' 0 C--N 1.361 1.078 0 C-N-CA 124.7 1.2 . . . . 0.0 110.053 177.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 . . . . . 0 CA--C 1.492 -1.286 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -175.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.896 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.666 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 7.9 pt -90.13 117.6 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.799 0 CA-C-O 121.938 0.875 . . . . 0.0 110.232 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 m -137.38 151.95 49.13 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.404 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 78.5 m -121.65 104.74 9.83 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 120.503 -0.479 . . . . 0.0 112.138 -178.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -98.08 -34.32 10.82 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 85.0 mt -120.41 157.99 28.12 Favored 'General case' 0 N--CA 1.423 -1.811 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.347 173.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.7 mm -95.67 125.48 48.43 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.784 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.78 -41.49 1.03 Allowed Glycine 0 CA--C 1.535 1.291 0 CA-C-N 115.21 -0.905 . . . . 0.0 114.699 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -89.39 8.43 30.77 Favored 'General case' 0 CA--C 1.486 -1.483 0 CA-C-O 122.159 0.98 . . . . 0.0 110.281 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.3 tp10 -82.45 78.23 9.13 Favored 'General case' 0 N--CA 1.396 -3.136 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.145 -178.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -56.78 -34.01 67.21 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.156 -1.838 . . . . 0.0 112.891 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.18 -19.59 65.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.362 0.601 . . . . 0.0 110.793 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -87.01 -48.57 7.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 10' ' ' GLU . 35.4 t -56.6 -37.5 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.636 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.35 -26.48 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 120.89 0.376 . . . . 0.0 111.717 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -67.69 -42.76 81.55 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.031 0.92 . . . . 0.0 108.951 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.658 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 25.1 m -68.43 -39.76 81.43 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.549 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 77.2 mt -68.32 -32.12 72.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.52 -43.94 65.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.31 -36.87 82.38 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.039 0.447 . . . . 0.0 111.733 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.1 49.0 0.31 Allowed Glycine 0 N--CA 1.435 -1.414 0 C-N-CA 120.007 -1.092 . . . . 0.0 111.762 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -108.23 165.0 11.82 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 122.695 0.398 . . . . 0.0 110.991 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 42.4 ttm180 -65.39 -28.57 69.36 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 172.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -169.76 36.92 Favored Glycine 0 N--CA 1.417 -2.611 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.734 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.658 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -152.27 165.67 30.9 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -177.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -160.03 150.39 18.63 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 121.137 0.494 . . . . 0.0 109.883 -177.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 84.0 m -88.52 127.62 35.54 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 169.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -91.35 -178.04 5.02 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.4 t -60.84 -23.15 64.89 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -80.25 -1.49 40.92 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 122.1 -0.375 . . . . 0.0 111.083 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 74.6 21.65 2.19 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.702 1.201 . . . . 0.0 110.325 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 58.5 t -97.22 138.37 22.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.71 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.666 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 m -82.37 117.06 22.15 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.973 175.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -119.31 139.42 51.98 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 63.0 m -115.9 129.54 56.45 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 17.7 ttm180 172.28 -47.73 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.955 0.784 . . . . 0.0 109.792 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 . . . . . 0 C--N 1.306 -1.291 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.811 -172.019 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.175 0 N-CA-C 112.306 -0.318 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.515 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.3 pt -68.67 127.15 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-O 121.624 0.726 . . . . 0.0 112.708 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.2 m -143.87 134.56 25.03 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.9 m -108.64 103.34 12.42 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.186 0.517 . . . . 0.0 111.968 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.0 -34.57 10.04 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -116.42 157.72 24.66 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.126 -1.397 . . . . 0.0 108.401 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.16 124.9 64.77 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.06 -44.17 2.57 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.748 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -92.39 16.58 11.46 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-O 122.13 0.967 . . . . 0.0 109.628 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.6 tp10 -88.2 76.46 8.44 Favored 'General case' 0 N--CA 1.392 -3.356 0 CA-C-O 122.233 1.016 . . . . 0.0 111.713 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -57.62 -31.64 66.44 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 113.978 -1.464 . . . . 0.0 112.599 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.68 -22.2 66.61 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.506 0.67 . . . . 0.0 110.283 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -87.39 -47.9 8.41 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 10' ' ' GLU . 38.1 t -53.59 -41.54 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.31 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -59.73 -28.86 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 122.75 0.42 . . . . 0.0 111.933 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.409 ' CE1' ' HE3' ' A' ' 20' ' ' LYS . 83.2 t60 -67.01 -42.07 85.57 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-O 122.1 0.953 . . . . 0.0 108.873 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.808 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 29.6 m -70.8 -34.23 71.54 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.717 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 76.6 mt -71.29 -31.8 67.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.268 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.87 -35.04 62.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.489 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HE3' ' CE1' ' A' ' 16' ' ' HIS . 92.7 mttt -71.1 -36.33 72.14 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.158 0.504 . . . . 0.0 111.281 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.24 52.13 0.74 Allowed Glycine 0 N--CA 1.43 -1.753 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -109.63 158.47 18.02 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.391 0.615 . . . . 0.0 111.779 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -62.83 -24.01 67.56 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.935 -1.484 . . . . 0.0 109.067 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.69 166.51 20.58 Favored Glycine 0 N--CA 1.415 -2.748 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.839 176.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.808 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.21 158.51 27.48 Favored Glycine 0 N--CA 1.413 -2.869 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.408 ' HZ3' ' H ' ' A' ' 37' ' ' ARG . 7.4 p90 -163.62 152.77 14.35 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 117.07 0.435 . . . . 0.0 109.956 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.402 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 87.1 m -85.63 117.75 24.71 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 168.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -82.44 -176.3 6.15 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -64.82 -18.69 65.35 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 123.605 0.762 . . . . 0.0 111.75 -174.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.34 10.88 23.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.299 -0.251 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 64.99 29.02 12.43 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.872 0.869 . . . . 0.0 110.527 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.73 132.72 60.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.526 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.515 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 14.0 m -79.98 124.13 28.42 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 124.122 0.889 . . . . 0.0 111.452 176.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -123.85 136.94 54.69 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.6 m -115.97 110.33 18.8 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -163.3 -51.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.65 0.738 . . . . 0.0 110.162 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' H ' ' HZ3' ' A' ' 26' ' ' TRP . 77.8 mtp180 . . . . . 0 CA--C 1.496 -1.103 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.89 -169.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.4 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.727 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 4.9 pt -69.6 126.22 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.314 0 CA-C-O 121.205 0.526 . . . . 0.0 111.494 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.7 m -139.87 146.66 39.58 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.414 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 61.1 m -120.22 106.36 11.85 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.087 0.47 . . . . 0.0 111.583 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -95.32 -33.28 12.6 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 174.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.14 157.0 19.18 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.858 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 74.4 mt -107.73 119.14 56.81 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.551 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.7 -39.47 1.76 Allowed Glycine 0 CA--C 1.525 0.669 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.51 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -92.98 10.48 31.17 Favored 'General case' 0 CA--C 1.493 -1.232 0 C-N-CA 124.107 0.963 . . . . 0.0 110.251 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.9 tp10 -84.73 74.59 10.43 Favored 'General case' 0 N--CA 1.404 -2.755 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.418 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -56.71 -33.75 66.8 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 113.699 -1.591 . . . . 0.0 112.209 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.34 -24.3 67.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.199 0.523 . . . . 0.0 110.321 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 t -87.53 -44.8 11.01 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.834 176.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 10' ' ' GLU . 45.0 t -54.91 -41.07 55.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 C-N-CA 123.478 0.711 . . . . 0.0 111.475 -178.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -60.03 -29.16 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.481 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.54 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 72.4 t60 -69.19 -42.32 75.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.297 0.57 . . . . 0.0 109.493 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.752 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 38.4 m -63.58 -42.3 98.31 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.177 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 75.6 mt -68.06 -31.85 71.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.734 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.89 78.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.6 mtpp -70.76 -27.29 63.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.124 178.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.59 30.87 3.63 Favored Glycine 0 CA--C 1.5 -0.844 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.852 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -84.77 162.99 19.39 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -73.95 -19.06 60.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.209 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.16 164.95 18.22 Favored Glycine 0 N--CA 1.418 -2.559 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.069 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.752 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.63 154.31 25.72 Favored Glycine 0 N--CA 1.419 -2.463 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.478 ' CZ3' ' HG2' ' A' ' 37' ' ' ARG . 1.3 p90 -162.54 142.49 9.56 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.285 0.564 . . . . 0.0 109.985 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 91.3 m -85.02 123.21 30.3 Favored 'General case' 0 C--N 1.285 -2.216 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 170.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -90.84 -171.44 3.02 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 119.031 -1.068 . . . . 0.0 109.66 -177.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -57.54 -20.91 34.94 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.139 0.975 . . . . 0.0 111.934 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -76.24 -7.22 54.39 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.527 0.731 . . . . 0.0 111.943 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 67.54 23.36 8.95 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.73 0.776 . . . . 0.0 109.478 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 69.5 t -110.42 139.89 31.9 Favored 'Isoleucine or valine' 0 C--O 1.261 1.673 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.952 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.727 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 13.8 m -74.84 120.82 20.91 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 124.81 1.319 . . . . 0.0 110.79 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -119.72 127.4 52.82 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.0 m -116.34 123.41 47.55 Favored 'General case' 0 C--N 1.28 -2.447 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 178.18 -48.1 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.054 0.388 . . . . 0.0 111.869 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 14.3 ptm180 . . . . . 0 C--N 1.31 -1.15 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.878 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.478 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 13.8 pt -73.25 117.28 16.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.685 0.755 . . . . 0.0 110.646 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.9 m -135.5 155.28 50.77 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -175.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.495 ' HB2' ' HE2' ' A' ' 31' ' ' LYS . 68.4 m -113.3 92.53 4.03 Favored 'General case' 0 N--CA 1.417 -2.114 0 CA-C-O 121.665 0.745 . . . . 0.0 111.671 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -88.73 -35.5 16.68 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -115.98 162.39 17.44 Favored 'General case' 0 N--CA 1.409 -2.484 0 CA-C-N 114.244 -1.344 . . . . 0.0 107.843 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.19 119.56 61.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.292 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.51 -37.96 1.86 Allowed Glycine 0 N--CA 1.473 1.123 0 CA-C-O 121.523 0.513 . . . . 0.0 113.302 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -88.31 2.13 53.1 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.4 tp10 -79.49 67.88 5.36 Favored 'General case' 0 N--CA 1.424 -1.775 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.412 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -66.96 -23.7 65.98 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.247 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.53 -23.28 65.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.207 0.527 . . . . 0.0 109.989 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.7 t -86.91 -46.99 9.37 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 10' ' ' GLU . 22.5 t -51.93 -45.03 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.453 0.701 . . . . 0.0 111.251 -178.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.51 -31.31 43.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.077 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.523 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 72.9 t60 -64.39 -43.78 93.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.509 0.671 . . . . 0.0 109.404 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.726 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 60.2 m -69.85 -38.48 76.47 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.073 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.29 -32.16 73.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.876 0.369 . . . . 0.0 110.279 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.36 -35.24 58.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.965 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 30.5 mtpp -72.71 -29.54 63.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.62 0.248 . . . . 0.0 111.506 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.66 39.7 0.65 Allowed Glycine 0 CA--C 1.5 -0.874 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.583 178.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -117.73 156.39 28.35 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 123.496 0.718 . . . . 0.0 110.417 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -76.9 -13.9 59.93 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.46 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.35 158.43 9.59 Favored Glycine 0 N--CA 1.416 -2.666 0 C-N-CA 118.695 -1.717 . . . . 0.0 114.601 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.726 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -130.2 149.13 18.83 Favored Glycine 0 N--CA 1.403 -3.543 0 CA-C-N 112.937 -1.631 . . . . 0.0 109.073 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -149.37 164.34 35.2 Favored 'General case' 0 C--N 1.274 -2.688 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.6 m -97.5 120.13 37.31 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.409 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.46 -179.99 3.22 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.473 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -68.88 -9.79 53.51 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 122.097 0.951 . . . . 0.0 110.737 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -83.2 -4.29 58.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.119 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.495 ' HE2' ' HB2' ' A' ' 4' ' ' CYS . 13.4 mmmm 66.27 26.12 10.42 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.226 1.01 . . . . 0.0 111.944 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 t -111.05 138.01 41.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.478 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 14.1 m -73.44 133.77 43.79 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 124.558 1.161 . . . . 0.0 110.876 173.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -136.5 149.46 48.18 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 57.7 m -115.45 121.46 42.81 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 36.6 ttp180 173.63 -16.51 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.371 0.42 . . . . 0.0 111.682 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 . . . . . 0 C--N 1.318 -0.804 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.291 -177.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.119 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.524 HD12 ' HB3' ' A' ' 33' ' ' CYS . 9.5 pt -74.97 142.06 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 CA-C-O 121.129 0.49 . . . . 0.0 111.165 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.4 m -133.46 145.23 50.03 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.473 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 65.0 m -134.31 89.17 2.53 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.84 -34.93 15.08 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -113.53 146.04 40.28 Favored 'General case' 0 N--CA 1.416 -2.143 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.279 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.2 mt -85.83 125.69 40.56 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.035 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 171.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.542 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 72.95 -44.66 1.05 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 177.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -84.31 -5.32 59.25 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 123.796 0.838 . . . . 0.0 110.011 -171.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' A' ' 4' ' ' CYS . 10.3 tp10 -72.18 84.68 1.03 Allowed 'General case' 0 N--CA 1.403 -2.815 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.74 -175.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -52.14 -32.96 38.06 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 112.4 -2.182 . . . . 0.0 111.643 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.93 -19.12 63.4 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 t -86.79 -44.26 11.88 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 24.6 t -53.7 -47.99 61.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.836 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.82 -26.83 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.979 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -71.56 -44.08 65.19 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.791 0.805 . . . . 0.0 108.925 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.663 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 53.5 m -69.14 -34.24 74.69 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.752 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 86.7 mt -70.09 -31.54 69.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.406 177.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.13 77.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.316 . . . . 0.0 110.507 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -70.15 -33.4 71.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.23 43.19 0.79 Allowed Glycine 0 C--N 1.304 -1.209 0 C-N-CA 120.094 -1.051 . . . . 0.0 111.401 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -108.31 167.19 10.2 Favored 'General case' 0 C--N 1.29 -2.016 0 C-N-CA 123.503 0.721 . . . . 0.0 110.362 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.52 -31.0 72.03 Favored 'General case' 0 CA--C 1.502 -0.866 0 O-C-N 124.001 0.813 . . . . 0.0 109.039 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.33 -171.05 37.25 Favored Glycine 0 N--CA 1.416 -2.661 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.663 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -149.72 160.25 28.41 Favored Glycine 0 N--CA 1.409 -3.12 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -175.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.542 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.9 p90 -154.69 134.26 12.73 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-O 121.235 0.541 . . . . 0.0 109.629 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.672 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 73.6 m -79.28 124.83 28.75 Favored 'General case' 0 C--N 1.284 -2.268 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 170.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -88.05 -170.22 2.89 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.177 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 m -62.83 -19.77 64.41 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -82.76 -3.85 57.13 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 66.61 30.57 8.28 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.368 1.067 . . . . 0.0 111.091 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.672 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 96.1 t -98.8 134.38 37.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' HB3' HD12 ' A' ' 2' ' ' ILE . 46.0 t -76.94 111.34 12.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -109.55 142.84 40.06 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.5 m -115.59 129.83 56.65 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 170.32 -44.8 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.433 1.093 . . . . 0.0 109.503 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 N--CA 1.435 -1.197 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.937 -169.734 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.551 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.6 pt -63.87 142.15 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-O 121.476 0.655 . . . . 0.0 111.867 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 m -143.24 154.33 43.72 Favored 'General case' 0 C--N 1.287 -2.129 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.8 m -128.94 93.95 3.72 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-O 121.613 0.721 . . . . 0.0 109.96 173.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.76 -30.92 11.45 Favored 'General case' 0 C--N 1.279 -2.485 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 172.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 85.7 mt -117.32 155.15 30.03 Favored 'General case' 0 N--CA 1.402 -2.837 0 CA-C-N 113.545 -1.661 . . . . 0.0 107.891 175.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.6 mt -113.08 129.82 68.07 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.471 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 80.62 -54.93 4.67 Favored Glycine 0 C--N 1.303 -1.299 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.869 -176.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -90.02 21.09 3.84 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 125.838 1.655 . . . . 0.0 109.099 -172.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.4 tp10 -85.3 85.45 7.45 Favored 'General case' 0 N--CA 1.382 -3.84 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.502 -168.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -53.63 -29.48 38.26 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 112.909 -1.951 . . . . 0.0 113.182 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.59 -20.0 61.38 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.54 0.686 . . . . 0.0 110.334 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 t -87.86 -44.58 10.97 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' GLU . 47.8 t -54.63 -39.15 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.644 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.8 -30.47 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -69.58 -39.15 77.5 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 35.2 m -70.42 -39.36 74.48 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.313 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 95.5 mt -66.43 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.597 0.237 . . . . 0.0 110.365 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.79 -44.08 64.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.54 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -70.57 -23.39 62.59 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.27 46.41 1.71 Allowed Glycine 0 C--N 1.309 -0.96 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.727 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' CG ' ' HB3' ' A' ' 35' ' ' CYS . 32.5 m-85 -107.07 164.07 12.46 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 123.028 0.531 . . . . 0.0 111.074 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.61 -19.68 62.09 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.071 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.93 -174.77 37.59 Favored Glycine 0 N--CA 1.418 -2.538 0 C-N-CA 120.198 -1.001 . . . . 0.0 111.314 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.694 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -150.91 170.06 30.68 Favored Glycine 0 N--CA 1.412 -2.954 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.471 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.2 p90 -163.48 143.59 8.71 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 31' ' ' LYS . 45.1 t -90.2 128.36 36.35 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 174.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.405 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 2.1 p30 -92.09 -175.45 4.08 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.585 -176.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 p -65.01 -19.98 66.27 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -82.75 -2.98 55.86 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 122.186 -0.321 . . . . 0.0 110.341 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 35.3 mmtp 73.15 29.56 1.72 Allowed 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.612 1.165 . . . . 0.0 110.497 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.405 ' HB ' ' OD1' ' A' ' 28' ' ' ASP . 57.3 t -102.08 132.95 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.217 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.0 t -78.73 118.92 21.26 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -118.8 141.93 48.18 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.412 ' HB3' ' CG ' ' A' ' 22' ' ' PHE . 84.1 m -115.66 128.04 55.62 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 39.9 ttm180 174.01 -48.2 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.83 0.852 . . . . 0.0 109.634 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.487 -173.817 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.219 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.693 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 15.6 pt -74.45 117.33 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.365 0 CA-C-O 121.898 0.856 . . . . 0.0 112.116 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.0 m -144.25 139.83 28.88 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.489 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 62.7 m -114.85 110.14 19.22 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -99.84 -37.79 8.91 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.2 mt -108.98 159.82 16.52 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.379 175.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.487 HD13 ' HA ' ' A' ' 29' ' ' SER . 95.8 mt -105.46 120.66 56.55 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 CA-C-N 114.462 -1.245 . . . . 0.0 107.64 176.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.98 -38.09 1.52 Allowed Glycine 0 CA--C 1.536 1.363 0 N-CA-C 114.54 0.576 . . . . 0.0 114.54 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -94.0 7.59 44.51 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.011 0.91 . . . . 0.0 110.483 -174.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.1 tp10 -84.44 77.29 10.04 Favored 'General case' 0 N--CA 1.407 -2.614 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.981 -175.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.41 -29.89 66.43 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.567 -177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.06 -21.64 66.38 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.318 0.58 . . . . 0.0 110.531 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 t -87.79 -49.47 7.09 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.185 173.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 10' ' ' GLU . 42.0 t -54.89 -39.34 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.455 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.15 -29.81 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.149 0.579 . . . . 0.0 111.876 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -64.7 -41.93 95.67 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.763 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 39.3 m -72.11 -39.14 69.08 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.895 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 75.6 mt -67.47 -31.43 71.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.24 -43.19 61.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.434 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -64.1 -29.15 70.3 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.55 54.36 0.69 Allowed Glycine 0 CA--C 1.493 -1.341 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -115.95 157.0 25.23 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.805 -0.698 . . . . 0.0 110.812 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -73.84 -14.02 61.02 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.976 0.798 . . . . 0.0 108.946 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.4 154.39 7.43 Favored Glycine 0 N--CA 1.409 -3.161 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.692 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.763 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -131.12 162.15 23.57 Favored Glycine 0 N--CA 1.412 -2.905 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 178.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.536 ' CH2' ' HG2' ' A' ' 37' ' ' ARG . 5.7 p90 -162.22 149.02 13.53 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 117.65 0.725 . . . . 0.0 110.729 -176.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 89.6 m -87.36 122.07 30.64 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 169.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -87.46 -178.54 6.17 Favored 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 119.635 -0.826 . . . . 0.0 108.787 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 7' ' ' ILE . 20.4 t -58.37 -24.36 59.65 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -82.69 2.91 31.29 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.922 -0.486 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 70.4 24.52 4.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.65 1.18 . . . . 0.0 110.597 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.0 t -97.47 136.77 27.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.422 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.693 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 19.7 m -86.87 112.09 21.41 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.709 175.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -115.6 138.28 51.22 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 52.2 m -115.82 118.24 32.46 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 40.3 ttm180 173.97 -12.81 0.0 OUTLIER 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.491 0.494 . . . . 0.0 112.035 -176.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 26.2 mmm180 . . . . . 0 CA--C 1.5 -0.943 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.024 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.546 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 8.0 pt . . . . . 0 C--O 1.243 0.716 0 CA-C-O 122.041 0.924 . . . . 0.0 111.599 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -124.05 151.77 43.43 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.3 -173.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.1 m -119.55 98.84 6.32 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.073 0.463 . . . . 0.0 111.369 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -90.63 -34.83 15.3 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 73.8 mt -104.83 148.84 26.2 Favored 'General case' 0 N--CA 1.395 -3.222 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.7 mt -108.64 113.93 45.36 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.037 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.55 -40.22 2.85 Favored Glycine 0 C--O 1.216 -1.012 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.044 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -87.03 8.06 25.06 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 122.264 1.031 . . . . 0.0 109.394 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.5 tp10 -83.77 70.31 10.34 Favored 'General case' 0 N--CA 1.416 -2.152 0 CA-C-N 113.936 -1.484 . . . . 0.0 110.527 -173.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.49 -30.32 69.64 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.335 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.87 -23.78 67.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 t -87.99 -45.77 9.92 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.4 t -51.97 -42.19 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 123.598 0.759 . . . . 0.0 111.725 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.89 -31.44 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.537 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -66.4 -41.98 88.52 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.544 0.688 . . . . 0.0 109.451 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.589 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 55.9 m -65.04 -42.89 93.9 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.446 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.13 -32.47 72.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.079 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.51 81.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.988 0.423 . . . . 0.0 110.283 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -69.68 -33.47 72.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.993 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.46 19.47 4.19 Favored Glycine 0 C--N 1.31 -0.906 0 C-N-CA 120.026 -1.083 . . . . 0.0 112.252 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -81.24 159.7 24.47 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 122.382 0.273 . . . . 0.0 110.317 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.48 -27.86 68.88 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.74 -172.92 38.02 Favored Glycine 0 N--CA 1.417 -2.609 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.589 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -149.34 165.02 29.42 Favored Glycine 0 N--CA 1.414 -2.826 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -177.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -159.53 153.0 22.49 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 92.8 m -96.58 128.6 43.67 Favored 'General case' 0 C--N 1.281 -2.371 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 173.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.74 -175.63 4.45 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.994 -0.682 . . . . 0.0 109.973 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -57.99 -25.43 61.03 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 123.432 0.693 . . . . 0.0 112.652 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -79.1 0.12 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.088 -0.382 . . . . 0.0 111.742 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt 69.65 22.25 6.28 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.552 0.741 . . . . 0.0 110.416 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 59.0 t -102.58 140.19 21.59 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.569 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.546 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.2 m -75.38 121.68 22.63 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.518 174.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -124.79 137.27 54.32 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 55.8 m -115.8 130.14 56.72 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 35.2 ttm180 172.36 -39.45 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.916 0.76 . . . . 0.0 109.797 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 . . . . . 0 C--N 1.314 -0.975 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.649 -173.794 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.495 HD12 ' HB2' ' A' ' 33' ' ' CYS . 14.5 pt . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.587 0.708 . . . . 0.0 112.781 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.6 m -145.14 148.33 33.47 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.0 m -115.77 110.11 18.62 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.423 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -95.76 -47.11 6.31 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 171.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.7 mt -112.62 172.14 7.1 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.531 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.96 129.74 71.82 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.611 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.8 -46.37 2.61 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.742 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.1 12.81 20.82 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 122.199 1.0 . . . . 0.0 109.607 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.5 tp10 -87.16 77.08 9.14 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.861 -173.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -56.73 -35.23 68.32 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.606 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.89 -18.49 64.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.523 0.678 . . . . 0.0 110.982 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 6.2 t -86.07 -46.4 10.51 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 173.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 10' ' ' GLU . 47.5 t -55.58 -36.63 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.014 0.926 . . . . 0.0 111.622 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -61.17 -24.23 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.055 0.455 . . . . 0.0 112.07 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.58 -41.14 76.21 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.012 0.91 . . . . 0.0 109.009 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.78 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 33.9 m -68.04 -38.85 82.99 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.343 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 77.6 mt -66.3 -32.28 73.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.019 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.63 71.01 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.608 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.08 -22.22 60.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.97 15.06 12.31 Favored Glycine 0 CA--C 1.505 -0.556 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.886 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -73.47 158.98 33.91 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -69.08 -17.92 63.93 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.18 177.27 35.08 Favored Glycine 0 N--CA 1.415 -2.709 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.441 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.78 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -153.52 166.28 31.69 Favored Glycine 0 N--CA 1.406 -3.322 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.703 ' CE3' ' HG2' ' A' ' 37' ' ' ARG . 1.6 p90 -163.85 145.9 9.28 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 t -86.1 131.52 34.24 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 172.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -98.16 -174.08 2.76 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.754 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.5 p -60.7 -25.39 66.37 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -80.64 2.88 23.92 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 68.79 26.25 6.07 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.053 0.941 . . . . 0.0 109.009 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.49 137.03 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.343 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.937 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' A' ' 2' ' ' ILE . 32.3 m -86.4 123.19 31.36 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.094 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -117.85 137.73 52.58 Favored 'General case' 0 CA--C 1.483 -1.618 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.7 m -116.98 129.74 56.23 Favored 'General case' 0 C--N 1.275 -2.636 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 174.74 -54.38 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 O-C-N 123.909 0.756 . . . . 0.0 109.899 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.703 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 11.7 ptm180 . . . . . 0 N--CA 1.421 -1.9 0 CA-C-O 117.844 -1.074 . . . . 0.0 112.526 -169.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.49 HD12 ' CB ' ' A' ' 33' ' ' CYS . 7.6 pt . . . . . 0 N--CA 1.432 -1.325 0 CA-C-O 121.17 0.509 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.8 m -142.99 150.31 39.47 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m -109.96 122.24 47.09 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 121.5 0.667 . . . . 0.0 112.363 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -113.91 -36.67 4.73 Favored 'General case' 0 C--N 1.285 -2.231 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 168.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.85 156.96 20.38 Favored 'General case' 0 N--CA 1.41 -2.473 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.436 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -114.86 121.2 66.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.741 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.55 -43.06 2.5 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.797 -176.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -90.92 12.38 19.72 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 122.446 1.117 . . . . 0.0 109.709 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.2 tp10 -85.71 68.04 10.26 Favored 'General case' 0 N--CA 1.411 -2.399 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.454 -174.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 26.5 ttm180 -63.82 -26.82 68.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.494 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.97 -21.55 66.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.408 0.623 . . . . 0.0 109.758 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.9 t -87.97 -43.75 11.52 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-O 121.401 0.62 . . . . 0.0 109.653 173.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 10' ' ' GLU . 50.8 t -53.54 -36.71 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.211 1.004 . . . . 0.0 111.927 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 p -53.71 -32.99 22.07 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.772 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.599 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 63.9 t60 -68.01 -43.67 78.3 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.168 0.509 . . . . 0.0 110.643 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.627 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 59.7 m -65.12 -40.57 94.65 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.625 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.03 -31.99 72.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.223 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.4 -42.04 75.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.599 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 30.5 mtpp -66.43 -27.36 67.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.901 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.99 19.69 7.55 Favored Glycine 0 CA--C 1.498 -0.97 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.505 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -82.56 159.43 22.79 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 122.89 0.476 . . . . 0.0 110.96 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -58.87 -29.05 66.7 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 124.541 1.151 . . . . 0.0 108.682 174.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.63 -169.39 37.09 Favored Glycine 0 N--CA 1.409 -3.118 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.627 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -155.06 171.2 33.3 Favored Glycine 0 N--CA 1.415 -2.732 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -163.26 161.27 24.69 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.3 t -105.39 133.4 50.22 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -97.16 179.93 4.74 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.9 m -59.44 -18.08 36.41 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -80.21 -2.6 45.59 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.015 -0.428 . . . . 0.0 110.829 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp 70.14 29.88 3.65 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.752 0.821 . . . . 0.0 109.425 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -111.71 136.49 47.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.614 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.49 ' CB ' HD12 ' A' ' 2' ' ' ILE . 8.1 m -83.29 132.66 35.01 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.994 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -128.27 144.4 51.12 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 81.4 m -116.3 128.48 55.6 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.261 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 34.5 ttm180 171.95 -43.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.316 0.646 . . . . 0.0 110.535 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 CA--C 1.501 -0.918 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.063 -173.05 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.754 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.1 pt . . . . . 0 N--CA 1.441 -0.914 0 CA-C-O 122.292 1.044 . . . . 0.0 112.1 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.6 m -128.81 142.92 50.82 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.4 m -116.31 104.14 11.18 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.404 0.621 . . . . 0.0 112.01 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -93.66 -36.99 12.07 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 173.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.4 mt -111.93 158.95 18.87 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.755 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.549 HD13 ' HA ' ' A' ' 29' ' ' SER . 70.1 mt -106.71 119.06 55.62 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.522 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.61 -41.26 2.1 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 116.158 -0.474 . . . . 0.0 113.7 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -88.93 7.43 34.57 Favored 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 124.302 1.041 . . . . 0.0 109.466 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.2 tp10 -81.75 75.28 8.7 Favored 'General case' 0 N--CA 1.405 -2.702 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.495 -174.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.43 -34.26 66.64 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 113.502 -1.681 . . . . 0.0 112.064 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.34 -21.67 66.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.075 0.465 . . . . 0.0 110.94 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.4 t -87.67 -47.81 8.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 10' ' ' GLU . 21.3 t -53.63 -43.59 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.48 0.712 . . . . 0.0 111.263 -177.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.05 -31.84 42.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.696 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.493 ' NE2' ' HE2' ' A' ' 20' ' ' LYS . 81.8 t60 -73.41 -41.02 63.82 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.68 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 62.9 m -63.21 -41.42 99.15 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.81 -32.04 73.35 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.236 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.71 -45.27 72.01 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.342 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' HE2' ' NE2' ' A' ' 16' ' ' HIS . 60.5 mttm -67.16 -23.86 65.82 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.842 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.04 9.74 11.74 Favored Glycine 0 CA--C 1.493 -1.309 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.405 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -76.07 155.14 35.08 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 122.457 0.303 . . . . 0.0 110.968 178.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -69.47 -12.77 61.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 37' ' ' ARG . . . 161.44 -175.0 38.07 Favored Glycine 0 CA--C 1.48 -2.139 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 175.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.68 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -159.5 152.2 23.11 Favored Glycine 0 CA--C 1.481 -2.064 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -146.53 150.25 35.18 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -175.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 97.9 m -90.36 130.61 36.43 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 169.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.464 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 2.0 p30 -87.5 -177.0 5.79 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.549 ' HA ' HD13 ' A' ' 7' ' ' ILE . 14.5 t -55.77 -27.74 52.47 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.88 0.872 . . . . 0.0 112.829 -176.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -85.32 7.48 22.13 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.933 -0.479 . . . . 0.0 111.542 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 65.88 34.47 7.22 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.523 0.729 . . . . 0.0 109.554 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 59.6 t -108.77 134.27 51.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.754 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 10.4 m -77.84 126.55 31.02 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 123.611 0.57 . . . . 0.0 110.517 175.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -130.29 139.36 50.74 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 59.5 m -113.76 129.9 56.52 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.907 -178.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 166.67 -31.57 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.878 1.671 . . . . 0.0 109.454 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' O ' ' HA3' ' A' ' 24' ' ' GLY . 59.1 mtm180 . . . . . 0 CA--C 1.506 -0.749 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.097 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.776 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 8.5 pt . . . . . 0 N--CA 1.429 -1.489 0 CA-C-O 121.677 0.751 . . . . 0.0 111.261 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.7 m -140.47 142.0 35.37 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.422 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 61.4 m -115.38 107.79 15.68 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.625 0.726 . . . . 0.0 112.8 -177.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -93.21 -34.7 13.48 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -109.77 164.48 12.52 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.648 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.0 mt -111.38 114.03 45.94 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.26 -37.98 2.02 Favored Glycine 0 C--N 1.305 -1.178 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.466 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -89.59 10.53 22.71 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 122.542 1.163 . . . . 0.0 109.6 -175.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.7 tp10 -86.48 76.09 9.65 Favored 'General case' 0 N--CA 1.392 -3.373 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.509 -174.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -56.22 -29.67 61.29 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.56 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.95 -26.66 68.68 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.368 0.604 . . . . 0.0 110.529 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -87.25 -47.01 9.19 Favored 'General case' 0 N--CA 1.422 -1.837 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 10' ' ' GLU . 36.2 t -56.99 -37.88 57.08 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.497 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.62 -27.4 42.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.532 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -70.28 -41.76 72.98 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.84 0.829 . . . . 0.0 109.02 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.711 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 30.7 m -63.66 -45.4 90.32 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.231 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.31 -31.16 71.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.377 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.24 71.99 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.346 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -66.81 -37.52 84.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.846 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.96 29.99 0.91 Allowed Glycine 0 C--N 1.307 -1.061 0 C-N-CA 119.927 -1.13 . . . . 0.0 112.09 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -88.61 159.09 18.04 Favored 'General case' 0 CA--C 1.479 -1.788 0 CA-C-O 120.938 0.399 . . . . 0.0 111.104 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -72.16 -17.47 61.94 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.122 -0.944 . . . . 0.0 108.774 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.63 177.51 34.76 Favored Glycine 0 N--CA 1.417 -2.574 0 C-N-CA 119.936 -1.126 . . . . 0.0 111.483 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.711 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -147.86 167.03 28.82 Favored Glycine 0 N--CA 1.415 -2.722 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.69 ' CE3' ' HG2' ' A' ' 37' ' ' ARG . 3.5 p90 -163.89 154.28 15.31 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 91.8 m -96.45 123.98 40.29 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -82.57 -179.4 7.41 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 m -54.91 -27.65 44.78 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.229 1.012 . . . . 0.0 113.442 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -84.35 4.66 30.24 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.319 -0.238 . . . . 0.0 111.184 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 70.28 24.44 4.79 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.623 0.769 . . . . 0.0 111.24 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 61.6 t -97.21 134.42 35.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.526 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.776 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 5.8 m -80.1 122.97 27.44 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.99 176.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -128.69 134.53 48.52 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.5 m -116.69 130.07 56.51 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 174.74 -61.36 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.404 0 O-C-N 123.873 0.733 . . . . 0.0 110.115 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.69 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 11.7 ptm180 . . . . . 0 C--O 1.253 1.239 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.494 -170.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.689 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 7.2 pt . . . . . 0 N--CA 1.435 -1.191 0 CA-C-O 122.019 0.914 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.2 m -136.12 153.15 51.38 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.45 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 63.4 m -121.96 99.28 6.36 Favored 'General case' 0 N--CA 1.422 -1.853 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.476 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -84.9 -35.86 21.86 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 82.5 mt -110.32 150.74 28.32 Favored 'General case' 0 N--CA 1.41 -2.437 0 CA-C-N 114.014 -1.448 . . . . 0.0 107.648 176.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.5 mt -102.88 117.72 48.7 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.64 -42.6 3.06 Favored Glycine 0 C--N 1.309 -0.953 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.604 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -89.14 10.88 20.29 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 122.278 1.037 . . . . 0.0 109.433 -175.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.7 tp10 -86.22 78.06 9.42 Favored 'General case' 0 N--CA 1.396 -3.165 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.963 -172.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.91 -21.46 63.4 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.782 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.19 -24.4 63.12 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 109.54 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.55 -48.09 8.2 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.211 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.7 t -54.74 -37.85 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.771 0.828 . . . . 0.0 111.804 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -57.06 -30.16 33.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.734 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.494 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 80.8 t60 -67.33 -44.35 79.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.283 0.563 . . . . 0.0 109.582 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.592 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 34.0 m -65.9 -40.55 91.61 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.602 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.38 -31.44 69.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.81 -40.66 68.98 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.309 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.9 mtpp -71.07 -28.01 64.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.433 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.26 20.98 5.37 Favored Glycine 0 CA--C 1.499 -0.959 0 C-N-CA 119.569 -1.3 . . . . 0.0 112.745 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -79.24 169.2 18.48 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 120.935 0.398 . . . . 0.0 111.024 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 6.4 tpm_? -75.69 -20.02 58.7 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.69 -171.88 37.75 Favored Glycine 0 N--CA 1.422 -2.269 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.746 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.592 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -153.32 165.88 31.47 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -177.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.448 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 5.9 p90 -163.47 153.65 15.59 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 76.3 m -92.5 134.31 35.09 Favored 'General case' 0 C--N 1.278 -2.509 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 170.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.31 -177.78 5.2 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 p -62.04 -21.06 64.6 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -83.7 6.94 19.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.031 -0.418 . . . . 0.0 110.538 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt 68.69 19.62 8.46 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.382 0.673 . . . . 0.0 110.944 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.1 t -95.66 136.92 25.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.689 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.0 m -80.0 118.17 21.49 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.254 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -117.86 139.98 50.35 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.63 125.99 53.59 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 121.362 -0.135 . . . . 0.0 110.66 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 32.2 ttm180 173.95 -54.62 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 124.848 1.259 . . . . 0.0 110.364 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 123.016 0.527 . . . . 0.0 112.003 -173.359 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.518 HD12 ' HB2' ' A' ' 33' ' ' CYS . 9.3 pt . . . . . 0 N--CA 1.446 -0.652 0 CA-C-O 121.894 0.854 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -134.53 157.01 47.64 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.5 m -123.1 91.15 3.43 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.679 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -87.15 -35.26 18.72 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 176.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 94.7 mt -134.07 170.1 16.15 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 114.228 -1.351 . . . . 0.0 107.42 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mt -117.77 132.95 66.08 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.144 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.42 -47.26 3.79 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-O 121.425 0.458 . . . . 0.0 112.094 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -91.46 7.65 40.17 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 122.043 0.925 . . . . 0.0 109.437 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.5 tp10 -83.31 73.22 10.15 Favored 'General case' 0 N--CA 1.413 -2.303 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.371 -175.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -61.43 -30.53 70.63 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 113.438 -1.71 . . . . 0.0 111.808 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.85 -18.46 62.71 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.091 0.472 . . . . 0.0 111.107 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.447 ' CB ' ' HG3' ' A' ' 10' ' ' GLU . 15.2 t -83.86 -48.34 10.14 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 173.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 10' ' ' GLU . 28.6 t -55.92 -39.41 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.353 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.17 -28.06 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.035 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 45.3 t60 -67.73 -42.89 81.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.53 0.681 . . . . 0.0 109.185 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.609 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 60.6 m -66.13 -37.51 85.89 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.021 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.66 -32.03 71.58 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.478 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.81 -35.8 70.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.999 0.428 . . . . 0.0 110.179 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 31.0 mtpp -70.33 -33.72 71.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.018 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.82 32.17 2.53 Favored Glycine 0 C--N 1.312 -0.798 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -98.95 157.66 16.17 Favored 'General case' 0 CA--C 1.488 -1.432 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.75 -22.91 67.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.26 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.56 176.47 33.69 Favored Glycine 0 CA--C 1.487 -1.715 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.671 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.609 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -146.41 160.27 28.16 Favored Glycine 0 N--CA 1.421 -2.351 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.458 ' CH2' ' HG2' ' A' ' 37' ' ' ARG . 7.3 p90 -160.69 151.31 18.35 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.9 m -84.88 135.23 34.16 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -98.95 -176.25 3.28 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 m -59.64 -20.32 55.25 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -84.9 3.21 39.17 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.032 -0.418 . . . . 0.0 111.488 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 71.03 14.91 6.73 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.494 1.118 . . . . 0.0 110.437 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -94.58 133.85 34.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB2' HD12 ' A' ' 2' ' ' ILE . 7.1 m -84.98 127.43 34.19 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.826 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -123.98 148.46 46.94 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.7 m -115.83 122.62 45.95 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 78.1 ttt180 176.26 -53.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.685 0.394 . . . . 0.0 110.307 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.458 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 30.3 mmm180 . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 118.839 -0.6 . . . . 0.0 112.067 -171.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.728 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 9.2 pt . . . . . 0 N--CA 1.433 -1.295 0 CA-C-O 121.506 0.67 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m -139.37 135.47 33.74 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 64.2 m -103.52 112.12 24.88 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.806 0.812 . . . . 0.0 112.944 -177.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -97.23 -49.06 5.1 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -106.32 162.9 13.27 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.89 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.4 mt -105.08 125.62 60.11 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.924 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.39 -44.77 1.98 Allowed Glycine 0 CA--C 1.533 1.218 0 N-CA-C 114.152 0.421 . . . . 0.0 114.152 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -97.76 19.46 13.64 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-O 121.952 0.882 . . . . 0.0 110.437 -172.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 14' ' ' VAL . 14.3 tp10 -85.46 75.59 10.17 Favored 'General case' 0 N--CA 1.396 -3.164 0 CA-C-O 122.483 1.135 . . . . 0.0 110.054 -176.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -55.35 -34.23 64.08 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 113.568 -1.651 . . . . 0.0 112.395 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.4 -21.42 65.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.761 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -88.03 -49.17 7.22 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 10' ' ' GLU . 44.0 t -51.59 -40.18 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.351 1.061 . . . . 0.0 112.61 -176.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 p -52.19 -31.6 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 122.978 0.511 . . . . 0.0 112.098 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.591 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 71.7 t60 -68.27 -44.87 74.6 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 121.157 0.503 . . . . 0.0 110.309 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.611 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 55.6 m -67.76 -36.04 79.79 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.312 0.577 . . . . 0.0 109.906 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.12 -30.86 70.11 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.79 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.39 -38.21 65.7 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.565 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.591 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.3 mtpp -70.12 -26.24 63.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 110.709 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.66 24.92 6.79 Favored Glycine 0 CA--C 1.503 -0.685 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.576 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -86.09 165.25 16.76 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.108 0.563 . . . . 0.0 111.921 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -60.79 -28.11 68.51 Favored 'General case' 0 CA--C 1.502 -0.888 0 O-C-N 124.017 0.823 . . . . 0.0 109.352 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.25 -175.69 37.85 Favored Glycine 0 N--CA 1.401 -3.659 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.611 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -143.48 165.31 27.16 Favored Glycine 0 N--CA 1.406 -3.317 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -161.37 150.49 16.31 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.8 m -90.89 122.12 33.32 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 168.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.32 179.87 6.69 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.2 t -66.38 -30.54 70.94 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -75.8 5.06 6.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.189 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 64.95 25.89 12.74 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.849 1.26 . . . . 0.0 111.323 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -100.07 131.98 46.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.063 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.728 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 1.5 m -78.62 110.66 13.94 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 124.295 0.997 . . . . 0.0 109.812 174.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -118.76 145.55 45.49 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.56 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 85.8 m -115.46 121.37 42.52 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 77.4 ttt180 172.68 -42.35 0.01 OUTLIER 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.026 0.829 . . . . 0.0 110.467 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.463 -174.522 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.532 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 pt . . . . . 0 N--CA 1.44 -0.943 0 CA-C-O 122.284 1.04 . . . . 0.0 112.213 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.9 m -144.01 145.36 32.16 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.9 m -105.08 98.85 8.5 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -93.77 -35.68 12.65 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 94.4 mt -118.37 148.05 42.91 Favored 'General case' 0 N--CA 1.425 -1.719 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 174.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -95.47 115.61 34.93 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.751 0 CA-C-O 121.214 0.53 . . . . 0.0 109.792 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.19 -38.42 2.22 Favored Glycine 0 C--N 1.303 -1.27 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.604 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.57 6.24 24.58 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 122.565 1.174 . . . . 0.0 109.137 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 14.4 tp10 -81.89 72.53 8.94 Favored 'General case' 0 N--CA 1.405 -2.716 0 CA-C-N 113.572 -1.649 . . . . 0.0 109.771 -175.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -59.46 -30.97 68.89 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.305 -1.316 . . . . 0.0 112.165 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.04 -19.13 65.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.04 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' CB ' ' HG3' ' A' ' 10' ' ' GLU . 15.7 t -86.34 -50.76 6.68 Favored 'General case' 0 N--CA 1.435 -1.195 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 21.6 t -55.02 -39.84 51.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.374 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.02 -27.6 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -70.79 -40.6 72.45 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.741 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 24.9 m -65.93 -43.43 88.11 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.095 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 84.3 mt -65.32 -31.76 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.439 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.89 -43.91 74.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.144 0.497 . . . . 0.0 110.119 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -69.85 -18.55 63.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.063 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.61 9.61 20.89 Favored Glycine 0 CA--C 1.491 -1.435 0 C-N-CA 119.954 -1.117 . . . . 0.0 112.357 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -75.23 159.54 31.43 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 122.801 0.44 . . . . 0.0 110.924 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -73.74 -23.81 59.8 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.32 171.18 28.14 Favored Glycine 0 C--O 1.279 2.965 0 C-N-CA 118.268 -1.92 . . . . 0.0 114.686 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.741 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -139.89 153.61 23.33 Favored Glycine 0 N--CA 1.405 -3.425 0 CA-C-N 112.607 -1.796 . . . . 0.0 110.359 -175.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 37' ' ' ARG . 8.6 p90 -152.89 154.35 34.9 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 81.2 m -86.65 122.21 30.24 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -86.23 -172.74 4.21 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 p -59.49 -24.41 63.58 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 -88.3 5.61 41.06 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.454 0.301 . . . . 0.0 110.977 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 67.37 26.2 8.49 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.967 0.907 . . . . 0.0 110.774 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 61.4 t -101.2 134.39 41.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.243 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.532 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 8.4 m -78.62 118.87 21.13 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.218 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 17.3 m-80 -116.29 133.31 56.16 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 27.2 m -115.02 121.62 43.68 Favored 'General case' 0 C--N 1.275 -2.635 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 173.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 73.8 ttt180 177.18 -22.55 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 119.595 -0.842 . . . . 0.0 112.214 -173.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 14.3 ptm180 . . . . . 0 N--CA 1.423 -1.793 0 CA-C-O 117.191 -1.385 . . . . 0.0 110.997 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 pt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 121.009 0.433 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m -137.47 145.18 42.77 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -175.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.6 m -108.28 121.78 45.61 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 120.88 0.371 . . . . 0.0 110.797 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -98.92 -45.83 5.84 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 173.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -106.51 169.47 8.5 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.629 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.5 mt -113.9 131.62 65.28 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.47 -36.6 0.98 Allowed Glycine 0 CA--C 1.537 1.428 0 N-CA-C 114.664 0.626 . . . . 0.0 114.664 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -103.72 13.15 33.7 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 121.677 0.751 . . . . 0.0 110.738 -173.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 14' ' ' VAL . 14.9 tp10 -86.54 65.62 9.12 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-O 122.263 1.03 . . . . 0.0 110.729 -175.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 40.4 ttm180 -64.07 -25.5 68.13 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.114 -176.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.7 -23.97 67.42 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.8 t -88.01 -39.66 14.49 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.442 173.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 25' ' ' GLY . 50.1 t -54.59 -35.2 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.014 0.926 . . . . 0.0 111.599 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 p -55.43 -32.29 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.554 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -65.8 -43.39 88.82 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.576 0.703 . . . . 0.0 110.046 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.757 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 26.1 m -66.27 -40.09 89.89 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.61 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -69.39 -31.75 70.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.424 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.58 69.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.31 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -74.51 -28.67 61.09 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.048 0.451 . . . . 0.0 110.935 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.11 24.53 6.84 Favored Glycine 0 N--CA 1.431 -1.692 0 C-N-CA 119.932 -1.128 . . . . 0.0 111.78 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -82.42 162.37 22.15 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 123.012 0.525 . . . . 0.0 109.777 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' HB2' ' OXT' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -76.32 -18.87 58.72 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.05 166.26 21.55 Favored Glycine 0 N--CA 1.401 -3.661 0 CA-C-O 122.96 1.311 . . . . 0.0 114.66 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.757 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -140.91 154.17 24.24 Favored Glycine 0 N--CA 1.396 -3.99 0 CA-C-N 112.266 -1.967 . . . . 0.0 108.671 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.464 ' HZ3' ' H ' ' A' ' 37' ' ' ARG . 4.7 p90 -162.29 151.19 15.22 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 81.2 m -87.68 123.25 32.32 Favored 'General case' 0 C--N 1.28 -2.414 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -91.26 -174.49 3.96 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -60.09 -22.85 63.26 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -84.06 3.97 32.22 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.123 -0.361 . . . . 0.0 111.183 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 68.89 22.9 6.96 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.603 0.761 . . . . 0.0 110.528 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.6 t -98.57 132.94 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.283 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.677 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.4 m -76.57 116.67 17.46 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.577 171.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.545 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 19.2 m-80 -118.54 112.69 20.21 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.3 m -97.75 114.05 25.96 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 103.735 -2.691 . . . . 0.0 103.735 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -165.67 -38.53 0.03 OUTLIER 'General case' 0 CA--C 1.492 -1.27 0 C-N-CA 117.441 -1.703 . . . . 0.0 111.868 -170.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.522 ' OXT' ' HB2' ' A' ' 23' ' ' ARG . 16.9 ptt180 . . . . . 0 C--N 1.294 -1.844 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.601 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.6 pt . . . . . 0 N--CA 1.44 -0.965 0 CA-C-O 121.694 0.759 . . . . 0.0 111.643 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.7 m -142.97 144.5 32.36 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.7 m -121.5 113.56 20.0 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.576 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -109.12 -28.69 8.92 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 173.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.1 mt -112.24 168.33 9.71 Favored 'General case' 0 N--CA 1.405 -2.687 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -127.66 119.02 50.76 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.501 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.15 -38.41 2.73 Favored Glycine 0 C--O 1.221 -0.704 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -89.6 0.56 56.85 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 122.525 1.155 . . . . 0.0 107.945 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.0 tp10 -84.26 67.09 9.66 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.268 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 16.3 tpp180 -66.35 -23.29 66.32 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.452 -174.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.3 -24.29 67.25 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.621 176.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 t -86.98 -47.06 9.27 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.43 ' HB ' ' HD3' ' A' ' 11' ' ' ARG . 26.0 t -57.67 -35.42 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.508 -177.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.09 -25.76 38.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.451 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 78.5 t60 -69.85 -38.19 76.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.966 0.888 . . . . 0.0 109.135 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.823 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 30.1 m -67.39 -40.23 85.64 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.001 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.72 -31.59 71.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.294 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.59 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.768 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HE3' ' NE2' ' A' ' 16' ' ' HIS . 95.3 mttt -66.67 -38.37 86.68 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.624 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.57 42.76 0.52 Allowed Glycine 0 C--N 1.306 -1.096 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -104.58 162.16 13.5 Favored 'General case' 0 CA--C 1.477 -1.861 0 C-N-CA 122.779 0.432 . . . . 0.0 110.223 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -83.69 -11.17 57.55 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.13 164.97 19.43 Favored Glycine 0 N--CA 1.405 -3.418 0 C-N-CA 119.265 -1.445 . . . . 0.0 113.501 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.823 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.39 154.95 26.07 Favored Glycine 1 N--CA 1.391 -4.33 0 CA-C-N 112.835 -1.683 . . . . 0.0 108.994 -177.254 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.454 ' CH2' ' HG3' ' A' ' 37' ' ' ARG . 5.8 p90 -154.17 155.91 36.2 Favored 'General case' 0 C--N 1.275 -2.64 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -175.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -90.25 126.84 35.97 Favored 'General case' 0 C--N 1.276 -2.593 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 175.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' OD2' ' HB ' ' A' ' 32' ' ' VAL . 2.3 p30 -84.7 179.08 7.43 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.034 -1.066 . . . . 0.0 108.217 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 m -61.36 -14.52 28.13 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -91.71 5.5 49.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.091 -0.381 . . . . 0.0 110.018 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 70.0 18.31 7.21 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.161 0.984 . . . . 0.0 111.495 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.439 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 86.8 t -87.41 132.65 32.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.369 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.601 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 9.2 m -77.97 116.31 18.36 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.562 176.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -117.15 127.54 54.22 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.9 m -112.4 121.41 44.77 Favored 'General case' 0 C--N 1.282 -2.331 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 179.52 -28.77 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.664 -170.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.454 ' HG3' ' CH2' ' A' ' 26' ' ' TRP . 74.7 mtp180 . . . . . 0 N--CA 1.432 -1.339 0 CA-C-O 119.028 -0.511 . . . . 0.0 109.949 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 pt . . . . . 0 N--CA 1.428 -1.526 0 CA-C-O 121.931 0.872 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.8 m -123.2 144.59 49.27 Favored 'General case' 0 C--N 1.269 -2.902 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.6 m -127.74 82.32 2.08 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-O 121.79 0.805 . . . . 0.0 109.899 175.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -94.13 -30.42 14.65 Favored 'General case' 0 C--N 1.284 -2.276 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 93.6 mt -111.5 147.77 34.6 Favored 'General case' 0 N--CA 1.402 -2.873 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.536 174.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.1 mt -103.18 127.63 56.89 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.061 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.469 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 79.4 -47.73 3.27 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 121.329 -0.462 . . . . 0.0 114.017 -178.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -95.04 19.52 10.31 Favored 'General case' 0 CA--C 1.487 -1.451 0 C-N-CA 124.226 1.01 . . . . 0.0 110.388 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.4 tp10 -90.31 82.39 5.97 Favored 'General case' 1 N--CA 1.378 -4.026 0 CA-C-O 122.426 1.108 . . . . 0.0 112.021 -171.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -56.03 -28.68 58.43 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.258 -1.792 . . . . 0.0 112.413 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.16 -25.63 67.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.503 0.668 . . . . 0.0 110.491 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.4 t -86.82 -45.51 10.82 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.9 t -51.52 -46.24 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.834 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.08 -26.6 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.91 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.497 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 80.0 t60 -73.43 -40.45 64.21 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 61.1 m -67.15 -36.11 81.13 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.336 177.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 90.6 mt -69.35 -32.44 71.52 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.13 80.69 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.669 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HE3' ' NE2' ' A' ' 16' ' ' HIS . 91.3 mttt -72.36 -37.79 68.72 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.07 52.68 0.31 Allowed Glycine 0 C--N 1.305 -1.15 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.8 163.26 20.56 Favored 'General case' 0 CA--C 1.485 -1.54 0 C-N-CA 123.281 0.632 . . . . 0.0 111.556 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -64.56 -28.89 69.94 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.44 -170.76 37.28 Favored Glycine 0 N--CA 1.417 -2.618 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.694 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -148.57 166.61 29.18 Favored Glycine 0 N--CA 1.416 -2.66 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.394 -176.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.469 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.4 p90 -154.22 134.79 13.51 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 88.8 m -80.12 127.04 31.85 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 169.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -92.84 -171.4 2.71 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -60.77 -25.45 66.53 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 123.749 0.82 . . . . 0.0 112.416 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -76.31 -6.56 52.06 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.285 -0.259 . . . . 0.0 111.074 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 69.68 26.95 4.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.08 0.952 . . . . 0.0 110.225 -176.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 92.9 t -99.69 137.06 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.108 177.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.58 114.69 17.72 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -114.08 142.6 46.0 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.87 124.85 51.68 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 12.8 ttp180 169.96 -42.51 0.0 OUTLIER 'General case' 0 C--N 1.355 0.826 0 C-N-CA 125.462 1.505 . . . . 0.0 110.429 177.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 118.942 -0.552 . . . . 0.0 110.775 -175.695 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 N--CA 1.43 -1.443 0 CA-C-O 121.406 0.622 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.6 m -143.3 162.24 36.2 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -137.29 94.95 3.0 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 118.498 0.59 . . . . 0.0 111.525 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -103.17 -34.6 8.78 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 170.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 91.1 mt -107.16 146.23 31.59 Favored 'General case' 0 N--CA 1.41 -2.445 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.023 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.9 mt -97.73 127.77 49.74 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.147 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 -42.68 1.85 Allowed Glycine 0 CA--C 1.536 1.369 0 N-CA-C 115.145 0.818 . . . . 0.0 115.145 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -97.28 14.33 26.44 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 122.724 1.25 . . . . 0.0 109.877 -174.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.5 tp10 -83.54 85.52 7.24 Favored 'General case' 0 N--CA 1.386 -3.668 0 CA-C-N 114.189 -1.369 . . . . 0.0 111.225 -174.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -50.49 -30.95 13.99 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.161 -1.836 . . . . 0.0 113.194 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.46 -24.79 67.74 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 121.598 0.714 . . . . 0.0 110.857 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -87.14 -49.36 7.35 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.762 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 25' ' ' GLY . 21.6 t -52.3 -46.85 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.515 -177.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -60.77 -29.98 46.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.871 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.413 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 63.5 t60 -69.55 -43.26 73.33 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.734 0.778 . . . . 0.0 109.393 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.673 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 58.8 m -70.59 -36.24 73.45 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.118 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.78 -32.8 74.32 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.8 -34.01 66.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.3 0.572 . . . . 0.0 110.485 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 28.6 mtpp -76.51 -24.78 53.73 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.561 177.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.84 25.03 4.68 Favored Glycine 0 C--N 1.315 -0.637 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.627 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -97.07 159.89 14.65 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 122.482 0.313 . . . . 0.0 110.723 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -56.21 -28.95 60.17 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 123.829 0.706 . . . . 0.0 110.055 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.23 -177.17 37.67 Favored Glycine 0 N--CA 1.403 -3.513 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.673 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -142.04 154.91 25.23 Favored Glycine 0 N--CA 1.405 -3.398 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.459 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 5.6 p90 -143.37 135.48 26.9 Favored 'General case' 0 C--N 1.274 -2.692 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 -177.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' A' ' 31' ' ' LYS . 53.7 t -83.81 123.38 29.83 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 172.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -89.66 -175.21 4.59 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.18 -175.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -59.11 -25.33 63.73 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.971 0.908 . . . . 0.0 112.283 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -80.03 -3.82 50.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.929 0.491 . . . . 0.0 110.889 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 34.7 mmtp 67.49 35.7 4.1 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.53 1.132 . . . . 0.0 110.391 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 98.2 t -108.73 136.31 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 CA-C-N 114.467 -1.242 . . . . 0.0 107.773 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.8 t -79.17 112.82 16.77 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -110.88 144.37 40.04 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 64.1 m -114.99 126.14 54.41 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.895 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 71.6 ttt180 169.15 -37.17 0.0 OUTLIER 'General case' 0 C--N 1.361 1.078 0 C-N-CA 124.7 1.2 . . . . 0.0 110.053 177.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 . . . . . 0 CA--C 1.492 -1.286 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -175.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.666 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 7.9 pt . . . . . 0 N--CA 1.423 -1.799 0 CA-C-O 121.938 0.875 . . . . 0.0 110.232 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 m -137.38 151.95 49.13 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.404 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 78.5 m -121.65 104.74 9.83 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 120.503 -0.479 . . . . 0.0 112.138 -178.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -98.08 -34.32 10.82 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 85.0 mt -120.41 157.99 28.12 Favored 'General case' 0 N--CA 1.423 -1.811 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.347 173.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.7 mm -95.67 125.48 48.43 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.784 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.78 -41.49 1.03 Allowed Glycine 0 CA--C 1.535 1.291 0 CA-C-N 115.21 -0.905 . . . . 0.0 114.699 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -89.39 8.43 30.77 Favored 'General case' 0 CA--C 1.486 -1.483 0 CA-C-O 122.159 0.98 . . . . 0.0 110.281 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.3 tp10 -82.45 78.23 9.13 Favored 'General case' 0 N--CA 1.396 -3.136 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.145 -178.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -56.78 -34.01 67.21 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.156 -1.838 . . . . 0.0 112.891 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.18 -19.59 65.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.362 0.601 . . . . 0.0 110.793 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -87.01 -48.57 7.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 10' ' ' GLU . 35.4 t -56.6 -37.5 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.636 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.35 -26.48 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 120.89 0.376 . . . . 0.0 111.717 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -67.69 -42.76 81.55 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.031 0.92 . . . . 0.0 108.951 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.658 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 25.1 m -68.43 -39.76 81.43 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.549 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 77.2 mt -68.32 -32.12 72.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.52 -43.94 65.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.31 -36.87 82.38 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.039 0.447 . . . . 0.0 111.733 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.1 49.0 0.31 Allowed Glycine 0 N--CA 1.435 -1.414 0 C-N-CA 120.007 -1.092 . . . . 0.0 111.762 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -108.23 165.0 11.82 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 122.695 0.398 . . . . 0.0 110.991 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 42.4 ttm180 -65.39 -28.57 69.36 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 172.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -169.76 36.92 Favored Glycine 0 N--CA 1.417 -2.611 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.734 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.658 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -152.27 165.67 30.9 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -177.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -160.03 150.39 18.63 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 121.137 0.494 . . . . 0.0 109.883 -177.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 84.0 m -88.52 127.62 35.54 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 169.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -91.35 -178.04 5.02 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.4 t -60.84 -23.15 64.89 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -80.25 -1.49 40.92 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 122.1 -0.375 . . . . 0.0 111.083 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 74.6 21.65 2.19 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.702 1.201 . . . . 0.0 110.325 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 58.5 t -97.22 138.37 22.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.71 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.666 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 m -82.37 117.06 22.15 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.973 175.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -119.31 139.42 51.98 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 63.0 m -115.9 129.54 56.45 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 17.7 ttm180 172.28 -47.73 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.955 0.784 . . . . 0.0 109.792 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 . . . . . 0 C--N 1.306 -1.291 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.811 -172.019 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.515 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.3 pt . . . . . 0 N--CA 1.445 -0.692 0 CA-C-O 121.624 0.726 . . . . 0.0 112.708 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.2 m -143.87 134.56 25.03 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.9 m -108.64 103.34 12.42 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.186 0.517 . . . . 0.0 111.968 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.0 -34.57 10.04 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -116.42 157.72 24.66 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.126 -1.397 . . . . 0.0 108.401 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.16 124.9 64.77 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.06 -44.17 2.57 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.748 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -92.39 16.58 11.46 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-O 122.13 0.967 . . . . 0.0 109.628 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.6 tp10 -88.2 76.46 8.44 Favored 'General case' 0 N--CA 1.392 -3.356 0 CA-C-O 122.233 1.016 . . . . 0.0 111.713 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -57.62 -31.64 66.44 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 113.978 -1.464 . . . . 0.0 112.599 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.68 -22.2 66.61 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.506 0.67 . . . . 0.0 110.283 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -87.39 -47.9 8.41 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 10' ' ' GLU . 38.1 t -53.59 -41.54 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.31 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -59.73 -28.86 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 122.75 0.42 . . . . 0.0 111.933 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.409 ' CE1' ' HE3' ' A' ' 20' ' ' LYS . 83.2 t60 -67.01 -42.07 85.57 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-O 122.1 0.953 . . . . 0.0 108.873 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.808 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 29.6 m -70.8 -34.23 71.54 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.717 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 76.6 mt -71.29 -31.8 67.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.268 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.87 -35.04 62.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.489 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HE3' ' CE1' ' A' ' 16' ' ' HIS . 92.7 mttt -71.1 -36.33 72.14 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.158 0.504 . . . . 0.0 111.281 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.24 52.13 0.74 Allowed Glycine 0 N--CA 1.43 -1.753 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -109.63 158.47 18.02 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.391 0.615 . . . . 0.0 111.779 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -62.83 -24.01 67.56 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.935 -1.484 . . . . 0.0 109.067 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.69 166.51 20.58 Favored Glycine 0 N--CA 1.415 -2.748 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.839 176.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.808 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.21 158.51 27.48 Favored Glycine 0 N--CA 1.413 -2.869 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.408 ' HZ3' ' H ' ' A' ' 37' ' ' ARG . 7.4 p90 -163.62 152.77 14.35 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 117.07 0.435 . . . . 0.0 109.956 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.402 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 87.1 m -85.63 117.75 24.71 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 168.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -82.44 -176.3 6.15 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -64.82 -18.69 65.35 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 123.605 0.762 . . . . 0.0 111.75 -174.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.34 10.88 23.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.299 -0.251 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 64.99 29.02 12.43 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.872 0.869 . . . . 0.0 110.527 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.73 132.72 60.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.526 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.515 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 14.0 m -79.98 124.13 28.42 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 124.122 0.889 . . . . 0.0 111.452 176.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -123.85 136.94 54.69 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.6 m -115.97 110.33 18.8 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -163.3 -51.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.65 0.738 . . . . 0.0 110.162 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' H ' ' HZ3' ' A' ' 26' ' ' TRP . 77.8 mtp180 . . . . . 0 CA--C 1.496 -1.103 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.89 -169.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.727 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 4.9 pt . . . . . 0 N--CA 1.433 -1.314 0 CA-C-O 121.205 0.526 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.7 m -139.87 146.66 39.58 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.414 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 61.1 m -120.22 106.36 11.85 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.087 0.47 . . . . 0.0 111.583 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -95.32 -33.28 12.6 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 174.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.14 157.0 19.18 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.858 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 74.4 mt -107.73 119.14 56.81 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.551 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.7 -39.47 1.76 Allowed Glycine 0 CA--C 1.525 0.669 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.51 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -92.98 10.48 31.17 Favored 'General case' 0 CA--C 1.493 -1.232 0 C-N-CA 124.107 0.963 . . . . 0.0 110.251 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.9 tp10 -84.73 74.59 10.43 Favored 'General case' 0 N--CA 1.404 -2.755 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.418 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -56.71 -33.75 66.8 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 113.699 -1.591 . . . . 0.0 112.209 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.34 -24.3 67.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.199 0.523 . . . . 0.0 110.321 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 t -87.53 -44.8 11.01 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.834 176.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 10' ' ' GLU . 45.0 t -54.91 -41.07 55.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 C-N-CA 123.478 0.711 . . . . 0.0 111.475 -178.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -60.03 -29.16 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.481 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.54 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 72.4 t60 -69.19 -42.32 75.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.297 0.57 . . . . 0.0 109.493 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.752 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 38.4 m -63.58 -42.3 98.31 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.177 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 75.6 mt -68.06 -31.85 71.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.734 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.89 78.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.6 mtpp -70.76 -27.29 63.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.124 178.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.59 30.87 3.63 Favored Glycine 0 CA--C 1.5 -0.844 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.852 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -84.77 162.99 19.39 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -73.95 -19.06 60.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.209 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.16 164.95 18.22 Favored Glycine 0 N--CA 1.418 -2.559 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.069 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.752 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.63 154.31 25.72 Favored Glycine 0 N--CA 1.419 -2.463 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.478 ' CZ3' ' HG2' ' A' ' 37' ' ' ARG . 1.3 p90 -162.54 142.49 9.56 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.285 0.564 . . . . 0.0 109.985 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 91.3 m -85.02 123.21 30.3 Favored 'General case' 0 C--N 1.285 -2.216 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 170.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -90.84 -171.44 3.02 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 119.031 -1.068 . . . . 0.0 109.66 -177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -57.54 -20.91 34.94 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.139 0.975 . . . . 0.0 111.934 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -76.24 -7.22 54.39 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.527 0.731 . . . . 0.0 111.943 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 67.54 23.36 8.95 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.73 0.776 . . . . 0.0 109.478 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 69.5 t -110.42 139.89 31.9 Favored 'Isoleucine or valine' 0 C--O 1.261 1.673 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.952 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.727 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 13.8 m -74.84 120.82 20.91 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 124.81 1.319 . . . . 0.0 110.79 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -119.72 127.4 52.82 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.0 m -116.34 123.41 47.55 Favored 'General case' 0 C--N 1.28 -2.447 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 178.18 -48.1 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.054 0.388 . . . . 0.0 111.869 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 14.3 ptm180 . . . . . 0 C--N 1.31 -1.15 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.478 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 13.8 pt . . . . . 0 N--CA 1.448 -0.549 0 CA-C-O 121.685 0.755 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.9 m -135.5 155.28 50.77 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -175.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.495 ' HB2' ' HE2' ' A' ' 31' ' ' LYS . 68.4 m -113.3 92.53 4.03 Favored 'General case' 0 N--CA 1.417 -2.114 0 CA-C-O 121.665 0.745 . . . . 0.0 111.671 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -88.73 -35.5 16.68 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -115.98 162.39 17.44 Favored 'General case' 0 N--CA 1.409 -2.484 0 CA-C-N 114.244 -1.344 . . . . 0.0 107.843 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.19 119.56 61.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.292 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.51 -37.96 1.86 Allowed Glycine 0 N--CA 1.473 1.123 0 CA-C-O 121.523 0.513 . . . . 0.0 113.302 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -88.31 2.13 53.1 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.4 tp10 -79.49 67.88 5.36 Favored 'General case' 0 N--CA 1.424 -1.775 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.412 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -66.96 -23.7 65.98 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.247 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.53 -23.28 65.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.207 0.527 . . . . 0.0 109.989 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.7 t -86.91 -46.99 9.37 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 10' ' ' GLU . 22.5 t -51.93 -45.03 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.453 0.701 . . . . 0.0 111.251 -178.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.51 -31.31 43.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.077 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.523 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 72.9 t60 -64.39 -43.78 93.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.509 0.671 . . . . 0.0 109.404 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.726 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 60.2 m -69.85 -38.48 76.47 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.073 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.29 -32.16 73.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.876 0.369 . . . . 0.0 110.279 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.36 -35.24 58.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.965 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 30.5 mtpp -72.71 -29.54 63.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.62 0.248 . . . . 0.0 111.506 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.66 39.7 0.65 Allowed Glycine 0 CA--C 1.5 -0.874 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.583 178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -117.73 156.39 28.35 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 123.496 0.718 . . . . 0.0 110.417 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -76.9 -13.9 59.93 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.46 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.35 158.43 9.59 Favored Glycine 0 N--CA 1.416 -2.666 0 C-N-CA 118.695 -1.717 . . . . 0.0 114.601 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.726 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -130.2 149.13 18.83 Favored Glycine 0 N--CA 1.403 -3.543 0 CA-C-N 112.937 -1.631 . . . . 0.0 109.073 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -149.37 164.34 35.2 Favored 'General case' 0 C--N 1.274 -2.688 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.6 m -97.5 120.13 37.31 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.409 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.46 -179.99 3.22 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.473 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -68.88 -9.79 53.51 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 122.097 0.951 . . . . 0.0 110.737 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -83.2 -4.29 58.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.119 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.495 ' HE2' ' HB2' ' A' ' 4' ' ' CYS . 13.4 mmmm 66.27 26.12 10.42 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.226 1.01 . . . . 0.0 111.944 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 t -111.05 138.01 41.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.478 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 14.1 m -73.44 133.77 43.79 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 124.558 1.161 . . . . 0.0 110.876 173.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -136.5 149.46 48.18 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 57.7 m -115.45 121.46 42.81 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 36.6 ttp180 173.63 -16.51 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.371 0.42 . . . . 0.0 111.682 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 . . . . . 0 C--N 1.318 -0.804 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.291 -177.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.524 HD12 ' HB3' ' A' ' 33' ' ' CYS . 9.5 pt . . . . . 0 N--CA 1.427 -1.582 0 CA-C-O 121.129 0.49 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.4 m -133.46 145.23 50.03 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.473 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 65.0 m -134.31 89.17 2.53 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.84 -34.93 15.08 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -113.53 146.04 40.28 Favored 'General case' 0 N--CA 1.416 -2.143 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.279 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.2 mt -85.83 125.69 40.56 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.035 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 171.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.542 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 72.95 -44.66 1.05 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 177.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -84.31 -5.32 59.25 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 123.796 0.838 . . . . 0.0 110.011 -171.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' A' ' 4' ' ' CYS . 10.3 tp10 -72.18 84.68 1.03 Allowed 'General case' 0 N--CA 1.403 -2.815 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.74 -175.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -52.14 -32.96 38.06 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 112.4 -2.182 . . . . 0.0 111.643 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.93 -19.12 63.4 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 t -86.79 -44.26 11.88 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 24.6 t -53.7 -47.99 61.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.836 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.82 -26.83 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.979 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -71.56 -44.08 65.19 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.791 0.805 . . . . 0.0 108.925 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.663 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 53.5 m -69.14 -34.24 74.69 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.752 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 86.7 mt -70.09 -31.54 69.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.406 177.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.13 77.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.316 . . . . 0.0 110.507 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -70.15 -33.4 71.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.23 43.19 0.79 Allowed Glycine 0 C--N 1.304 -1.209 0 C-N-CA 120.094 -1.051 . . . . 0.0 111.401 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -108.31 167.19 10.2 Favored 'General case' 0 C--N 1.29 -2.016 0 C-N-CA 123.503 0.721 . . . . 0.0 110.362 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.52 -31.0 72.03 Favored 'General case' 0 CA--C 1.502 -0.866 0 O-C-N 124.001 0.813 . . . . 0.0 109.039 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.33 -171.05 37.25 Favored Glycine 0 N--CA 1.416 -2.661 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.663 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -149.72 160.25 28.41 Favored Glycine 0 N--CA 1.409 -3.12 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -175.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.542 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.9 p90 -154.69 134.26 12.73 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-O 121.235 0.541 . . . . 0.0 109.629 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.672 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 73.6 m -79.28 124.83 28.75 Favored 'General case' 0 C--N 1.284 -2.268 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 170.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -88.05 -170.22 2.89 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.177 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 m -62.83 -19.77 64.41 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -82.76 -3.85 57.13 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 66.61 30.57 8.28 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.368 1.067 . . . . 0.0 111.091 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.672 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 96.1 t -98.8 134.38 37.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' HB3' HD12 ' A' ' 2' ' ' ILE . 46.0 t -76.94 111.34 12.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -109.55 142.84 40.06 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.5 m -115.59 129.83 56.65 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 170.32 -44.8 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.433 1.093 . . . . 0.0 109.503 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 N--CA 1.435 -1.197 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.937 -169.734 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.6 pt . . . . . 0 N--CA 1.445 -0.688 0 CA-C-O 121.476 0.655 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 m -143.24 154.33 43.72 Favored 'General case' 0 C--N 1.287 -2.129 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.8 m -128.94 93.95 3.72 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-O 121.613 0.721 . . . . 0.0 109.96 173.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.76 -30.92 11.45 Favored 'General case' 0 C--N 1.279 -2.485 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 172.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 85.7 mt -117.32 155.15 30.03 Favored 'General case' 0 N--CA 1.402 -2.837 0 CA-C-N 113.545 -1.661 . . . . 0.0 107.891 175.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.6 mt -113.08 129.82 68.07 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.471 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 80.62 -54.93 4.67 Favored Glycine 0 C--N 1.303 -1.299 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.869 -176.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -90.02 21.09 3.84 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 125.838 1.655 . . . . 0.0 109.099 -172.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.4 tp10 -85.3 85.45 7.45 Favored 'General case' 0 N--CA 1.382 -3.84 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.502 -168.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -53.63 -29.48 38.26 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 112.909 -1.951 . . . . 0.0 113.182 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.59 -20.0 61.38 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.54 0.686 . . . . 0.0 110.334 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 t -87.86 -44.58 10.97 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' GLU . 47.8 t -54.63 -39.15 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.644 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.8 -30.47 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -69.58 -39.15 77.5 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 35.2 m -70.42 -39.36 74.48 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.313 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 95.5 mt -66.43 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.597 0.237 . . . . 0.0 110.365 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.79 -44.08 64.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.54 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -70.57 -23.39 62.59 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.27 46.41 1.71 Allowed Glycine 0 C--N 1.309 -0.96 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.727 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' CG ' ' HB3' ' A' ' 35' ' ' CYS . 32.5 m-85 -107.07 164.07 12.46 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 123.028 0.531 . . . . 0.0 111.074 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.61 -19.68 62.09 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.071 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.93 -174.77 37.59 Favored Glycine 0 N--CA 1.418 -2.538 0 C-N-CA 120.198 -1.001 . . . . 0.0 111.314 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.694 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -150.91 170.06 30.68 Favored Glycine 0 N--CA 1.412 -2.954 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.471 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.2 p90 -163.48 143.59 8.71 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 31' ' ' LYS . 45.1 t -90.2 128.36 36.35 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 174.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.405 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 2.1 p30 -92.09 -175.45 4.08 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.585 -176.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 p -65.01 -19.98 66.27 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -82.75 -2.98 55.86 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 122.186 -0.321 . . . . 0.0 110.341 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 35.3 mmtp 73.15 29.56 1.72 Allowed 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.612 1.165 . . . . 0.0 110.497 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.405 ' HB ' ' OD1' ' A' ' 28' ' ' ASP . 57.3 t -102.08 132.95 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.217 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.0 t -78.73 118.92 21.26 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -118.8 141.93 48.18 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.412 ' HB3' ' CG ' ' A' ' 22' ' ' PHE . 84.1 m -115.66 128.04 55.62 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 39.9 ttm180 174.01 -48.2 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.83 0.852 . . . . 0.0 109.634 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.487 -173.817 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.693 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 15.6 pt . . . . . 0 N--CA 1.432 -1.365 0 CA-C-O 121.898 0.856 . . . . 0.0 112.116 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.0 m -144.25 139.83 28.88 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.489 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 62.7 m -114.85 110.14 19.22 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -99.84 -37.79 8.91 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.2 mt -108.98 159.82 16.52 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.379 175.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.487 HD13 ' HA ' ' A' ' 29' ' ' SER . 95.8 mt -105.46 120.66 56.55 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 CA-C-N 114.462 -1.245 . . . . 0.0 107.64 176.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.98 -38.09 1.52 Allowed Glycine 0 CA--C 1.536 1.363 0 N-CA-C 114.54 0.576 . . . . 0.0 114.54 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -94.0 7.59 44.51 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.011 0.91 . . . . 0.0 110.483 -174.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.1 tp10 -84.44 77.29 10.04 Favored 'General case' 0 N--CA 1.407 -2.614 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.981 -175.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.41 -29.89 66.43 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.567 -177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.06 -21.64 66.38 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.318 0.58 . . . . 0.0 110.531 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 t -87.79 -49.47 7.09 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.185 173.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 10' ' ' GLU . 42.0 t -54.89 -39.34 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.455 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.15 -29.81 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.149 0.579 . . . . 0.0 111.876 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -64.7 -41.93 95.67 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.763 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 39.3 m -72.11 -39.14 69.08 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.895 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 75.6 mt -67.47 -31.43 71.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.24 -43.19 61.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.434 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -64.1 -29.15 70.3 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.55 54.36 0.69 Allowed Glycine 0 CA--C 1.493 -1.341 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -115.95 157.0 25.23 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.805 -0.698 . . . . 0.0 110.812 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -73.84 -14.02 61.02 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.976 0.798 . . . . 0.0 108.946 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.4 154.39 7.43 Favored Glycine 0 N--CA 1.409 -3.161 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.692 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.763 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -131.12 162.15 23.57 Favored Glycine 0 N--CA 1.412 -2.905 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 178.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.536 ' CH2' ' HG2' ' A' ' 37' ' ' ARG . 5.7 p90 -162.22 149.02 13.53 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 117.65 0.725 . . . . 0.0 110.729 -176.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 89.6 m -87.36 122.07 30.64 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 169.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -87.46 -178.54 6.17 Favored 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 119.635 -0.826 . . . . 0.0 108.787 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 7' ' ' ILE . 20.4 t -58.37 -24.36 59.65 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -82.69 2.91 31.29 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.922 -0.486 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 70.4 24.52 4.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.65 1.18 . . . . 0.0 110.597 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.0 t -97.47 136.77 27.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.422 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.693 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 19.7 m -86.87 112.09 21.41 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.709 175.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -115.6 138.28 51.22 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 52.2 m -115.82 118.24 32.46 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 40.3 ttm180 173.97 -12.81 0.0 OUTLIER 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.491 0.494 . . . . 0.0 112.035 -176.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 26.2 mmm180 . . . . . 0 CA--C 1.5 -0.943 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.024 -178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.933 0 N-CA-C 111.611 -0.596 . . . . 0.0 111.611 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.546 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 8.0 pt -67.82 117.56 9.78 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 CA-C-O 122.041 0.924 . . . . 0.0 111.599 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.0 m -124.05 151.77 43.43 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-N 114.351 -1.295 . . . . 0.0 108.3 -173.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.1 m -119.55 98.84 6.32 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 121.073 0.463 . . . . 0.0 111.369 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -90.63 -34.83 15.3 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 73.8 mt -104.83 148.84 26.2 Favored 'General case' 0 N--CA 1.395 -3.222 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 58.7 mt -108.64 113.93 45.36 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.037 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.55 -40.22 2.85 Favored Glycine 0 C--O 1.216 -1.012 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.044 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -87.03 8.06 25.06 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 122.264 1.031 . . . . 0.0 109.394 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.5 tp10 -83.77 70.31 10.34 Favored 'General case' 0 N--CA 1.416 -2.152 0 CA-C-N 113.936 -1.484 . . . . 0.0 110.527 -173.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -60.49 -30.32 69.64 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.335 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.87 -23.78 67.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.9 t -87.99 -45.77 9.92 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 173.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.4 t -51.97 -42.19 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 C-N-CA 123.598 0.759 . . . . 0.0 111.725 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -58.89 -31.44 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.537 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -66.4 -41.98 88.52 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-O 121.544 0.688 . . . . 0.0 109.451 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.589 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 55.9 m -65.04 -42.89 93.9 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.446 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.13 -32.47 72.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.079 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.51 81.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.988 0.423 . . . . 0.0 110.283 178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -69.68 -33.47 72.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.993 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.46 19.47 4.19 Favored Glycine 0 C--N 1.31 -0.906 0 C-N-CA 120.026 -1.083 . . . . 0.0 112.252 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -81.24 159.7 24.47 Favored 'General case' 0 C--N 1.304 -1.409 0 C-N-CA 122.382 0.273 . . . . 0.0 110.317 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.48 -27.86 68.88 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.74 -172.92 38.02 Favored Glycine 0 N--CA 1.417 -2.609 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.589 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -149.34 165.02 29.42 Favored Glycine 0 N--CA 1.414 -2.826 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -177.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 5.7 p90 -159.53 153.0 22.49 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 92.8 m -96.58 128.6 43.67 Favored 'General case' 0 C--N 1.281 -2.371 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 173.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.74 -175.63 4.45 Favored 'General case' 0 C--N 1.294 -1.825 0 C-N-CA 119.994 -0.682 . . . . 0.0 109.973 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.2 m -57.99 -25.43 61.03 Favored 'General case' 0 C--N 1.317 -0.837 0 C-N-CA 123.432 0.693 . . . . 0.0 112.652 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -79.1 0.12 29.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.088 -0.382 . . . . 0.0 111.742 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt 69.65 22.25 6.28 Favored 'General case' 0 C--N 1.353 0.739 0 C-N-CA 123.552 0.741 . . . . 0.0 110.416 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 59.0 t -102.58 140.19 21.59 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.569 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.546 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.2 m -75.38 121.68 22.63 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.518 174.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -124.79 137.27 54.32 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 55.8 m -115.8 130.14 56.72 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 35.2 ttm180 172.36 -39.45 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.916 0.76 . . . . 0.0 109.797 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 . . . . . 0 C--N 1.314 -0.975 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.649 -173.794 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.06 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.495 HD12 ' HB2' ' A' ' 33' ' ' CYS . 14.5 pt -66.28 133.75 30.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 121.587 0.708 . . . . 0.0 112.781 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.6 m -145.14 148.33 33.47 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.0 m -115.77 110.11 18.62 Favored 'General case' 0 C--N 1.305 -1.333 0 C-N-CA 120.021 -0.672 . . . . 0.0 112.423 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -95.76 -47.11 6.31 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 171.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.7 mt -112.62 172.14 7.1 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.531 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 61.9 mt -115.96 129.74 71.82 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.611 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.8 -46.37 2.61 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 121.11 -0.567 . . . . 0.0 113.742 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.1 12.81 20.82 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 122.199 1.0 . . . . 0.0 109.607 -174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.5 tp10 -87.16 77.08 9.14 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.861 -173.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -56.73 -35.23 68.32 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.606 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.6 mt -67.89 -18.49 64.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.523 0.678 . . . . 0.0 110.982 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 6.2 t -86.07 -46.4 10.51 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 173.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 10' ' ' GLU . 47.5 t -55.58 -36.63 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.014 0.926 . . . . 0.0 111.622 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -61.17 -24.23 32.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 121.055 0.455 . . . . 0.0 112.07 -178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -69.58 -41.14 76.21 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 122.012 0.91 . . . . 0.0 109.009 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.78 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 33.9 m -68.04 -38.85 82.99 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.343 178.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 77.6 mt -66.3 -32.28 73.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.019 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.21 -40.63 71.01 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.608 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -73.08 -22.22 60.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.97 15.06 12.31 Favored Glycine 0 CA--C 1.505 -0.556 0 C-N-CA 120.305 -0.95 . . . . 0.0 112.886 174.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -73.47 158.98 33.91 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -69.08 -17.92 63.93 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.18 177.27 35.08 Favored Glycine 0 N--CA 1.415 -2.709 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.441 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.78 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -153.52 166.28 31.69 Favored Glycine 0 N--CA 1.406 -3.322 0 N-CA-C 110.01 -1.236 . . . . 0.0 110.01 -176.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.703 ' CE3' ' HG2' ' A' ' 37' ' ' ARG . 1.6 p90 -163.85 145.9 9.28 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 50.4 t -86.1 131.52 34.24 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 172.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -98.16 -174.08 2.76 Favored 'General case' 0 C--N 1.31 -1.147 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.754 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.5 p -60.7 -25.39 66.37 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -80.64 2.88 23.92 Favored 'General case' 0 C--O 1.244 0.797 0 CA-C-N 116.821 -0.172 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 68.79 26.25 6.07 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.053 0.941 . . . . 0.0 109.009 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -107.49 137.03 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.343 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.937 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' A' ' 2' ' ' ILE . 32.3 m -86.4 123.19 31.36 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.094 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -117.85 137.73 52.58 Favored 'General case' 0 CA--C 1.483 -1.618 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 41.7 m -116.98 129.74 56.23 Favored 'General case' 0 C--N 1.275 -2.636 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 174.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 174.74 -54.38 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.858 0 O-C-N 123.909 0.756 . . . . 0.0 109.899 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.703 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 11.7 ptm180 . . . . . 0 N--CA 1.421 -1.9 0 CA-C-O 117.844 -1.074 . . . . 0.0 112.526 -169.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.179 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.49 HD12 ' CB ' ' A' ' 33' ' ' CYS . 7.6 pt -92.69 135.21 28.25 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.325 0 CA-C-O 121.17 0.509 . . . . 0.0 110.554 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.8 m -142.99 150.31 39.47 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 -174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m -109.96 122.24 47.09 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-O 121.5 0.667 . . . . 0.0 112.363 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -113.91 -36.67 4.73 Favored 'General case' 0 C--N 1.285 -2.231 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 168.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.85 156.96 20.38 Favored 'General case' 0 N--CA 1.41 -2.473 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.436 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.2 mt -114.86 121.2 66.46 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.741 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.55 -43.06 2.5 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 121.195 -0.526 . . . . 0.0 112.797 -176.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -90.92 12.38 19.72 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 122.446 1.117 . . . . 0.0 109.709 -175.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.2 tp10 -85.71 68.04 10.26 Favored 'General case' 0 N--CA 1.411 -2.399 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.454 -174.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 26.5 ttm180 -63.82 -26.82 68.8 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.494 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.97 -21.55 66.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.408 0.623 . . . . 0.0 109.758 177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 11.9 t -87.97 -43.75 11.52 Favored 'General case' 0 N--CA 1.429 -1.502 0 CA-C-O 121.401 0.62 . . . . 0.0 109.653 173.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 10' ' ' GLU . 50.8 t -53.54 -36.71 28.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.211 1.004 . . . . 0.0 111.927 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 p -53.71 -32.99 22.07 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.14 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.772 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.599 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 63.9 t60 -68.01 -43.67 78.3 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.168 0.509 . . . . 0.0 110.643 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.627 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 59.7 m -65.12 -40.57 94.65 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.625 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.03 -31.99 72.9 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.223 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.4 -42.04 75.62 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.599 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 30.5 mtpp -66.43 -27.36 67.77 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.901 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.99 19.69 7.55 Favored Glycine 0 CA--C 1.498 -0.97 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.505 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -82.56 159.43 22.79 Favored 'General case' 0 C--N 1.298 -1.667 0 C-N-CA 122.89 0.476 . . . . 0.0 110.96 179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -58.87 -29.05 66.7 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 124.541 1.151 . . . . 0.0 108.682 174.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.63 -169.39 37.09 Favored Glycine 0 N--CA 1.409 -3.118 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.627 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -155.06 171.2 33.3 Favored Glycine 0 N--CA 1.415 -2.732 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -163.26 161.27 24.69 Favored 'General case' 0 C--N 1.292 -1.932 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 53.3 t -105.39 133.4 50.22 Favored 'General case' 0 C--N 1.278 -2.529 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -97.16 179.93 4.74 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 -178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.9 m -59.44 -18.08 36.41 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -80.21 -2.6 45.59 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.015 -0.428 . . . . 0.0 110.829 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp 70.14 29.88 3.65 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.752 0.821 . . . . 0.0 109.425 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -111.71 136.49 47.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 114.863 -1.062 . . . . 0.0 108.614 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.49 ' CB ' HD12 ' A' ' 2' ' ' ILE . 8.1 m -83.29 132.66 35.01 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.994 176.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -128.27 144.4 51.12 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 81.4 m -116.3 128.48 55.6 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.261 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 34.5 ttm180 171.95 -43.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.316 0.646 . . . . 0.0 110.535 177.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 CA--C 1.501 -0.918 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.063 -173.05 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.218 0 N-CA-C 110.523 -1.031 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.754 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.1 pt -62.16 118.91 5.06 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 122.292 1.044 . . . . 0.0 112.1 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 19.6 m -128.81 142.92 50.82 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.4 m -116.31 104.14 11.18 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.404 0.621 . . . . 0.0 112.01 -178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -93.66 -36.99 12.07 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 173.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.4 mt -111.93 158.95 18.87 Favored 'General case' 0 N--CA 1.416 -2.125 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.755 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.549 HD13 ' HA ' ' A' ' 29' ' ' SER . 70.1 mt -106.71 119.06 55.62 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.522 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.61 -41.26 2.1 Favored Glycine 0 CA--C 1.527 0.841 0 CA-C-N 116.158 -0.474 . . . . 0.0 113.7 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -88.93 7.43 34.57 Favored 'General case' 0 CA--C 1.496 -1.119 0 C-N-CA 124.302 1.041 . . . . 0.0 109.466 -175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.2 tp10 -81.75 75.28 8.7 Favored 'General case' 0 N--CA 1.405 -2.702 0 CA-C-N 114.348 -1.296 . . . . 0.0 110.495 -174.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -56.43 -34.26 66.64 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 113.502 -1.681 . . . . 0.0 112.064 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.34 -21.67 66.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.075 0.465 . . . . 0.0 110.94 178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 44.4 t -87.67 -47.81 8.38 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 10' ' ' GLU . 21.3 t -53.63 -43.59 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 123.48 0.712 . . . . 0.0 111.263 -177.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -58.05 -31.84 42.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.696 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.493 ' NE2' ' HE2' ' A' ' 20' ' ' LYS . 81.8 t60 -73.41 -41.02 63.82 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.68 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 62.9 m -63.21 -41.42 99.15 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.81 -32.04 73.35 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.236 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.71 -45.27 72.01 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.342 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' HE2' ' NE2' ' A' ' 16' ' ' HIS . 60.5 mttm -67.16 -23.86 65.82 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.842 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.04 9.74 11.74 Favored Glycine 0 CA--C 1.493 -1.309 0 C-N-CA 119.703 -1.237 . . . . 0.0 112.405 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -76.07 155.14 35.08 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 122.457 0.303 . . . . 0.0 110.968 178.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -69.47 -12.77 61.93 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.159 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 37' ' ' ARG . . . 161.44 -175.0 38.07 Favored Glycine 0 CA--C 1.48 -2.139 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 175.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.68 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -159.5 152.2 23.11 Favored Glycine 0 CA--C 1.481 -2.064 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -146.53 150.25 35.18 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -175.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 97.9 m -90.36 130.61 36.43 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 169.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.464 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 2.0 p30 -87.5 -177.0 5.79 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.549 ' HA ' HD13 ' A' ' 7' ' ' ILE . 14.5 t -55.77 -27.74 52.47 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.88 0.872 . . . . 0.0 112.829 -176.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -85.32 7.48 22.13 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.933 -0.479 . . . . 0.0 111.542 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt 65.88 34.47 7.22 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.523 0.729 . . . . 0.0 109.554 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 59.6 t -108.77 134.27 51.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.754 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 10.4 m -77.84 126.55 31.02 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 123.611 0.57 . . . . 0.0 110.517 175.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -130.29 139.36 50.74 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.436 ' HA ' ' HA2' ' A' ' 25' ' ' GLY . 59.5 m -113.76 129.9 56.52 Favored 'General case' 0 C--N 1.291 -1.971 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.907 -178.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 166.67 -31.57 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.878 1.671 . . . . 0.0 109.454 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' O ' ' HA3' ' A' ' 24' ' ' GLY . 59.1 mtm180 . . . . . 0 CA--C 1.506 -0.749 0 CA-C-O 118.91 -0.567 . . . . 0.0 110.097 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.63 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.776 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 8.5 pt -92.48 120.13 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.489 0 CA-C-O 121.677 0.751 . . . . 0.0 111.261 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.7 m -140.47 142.0 35.37 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.422 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 61.4 m -115.38 107.79 15.68 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.625 0.726 . . . . 0.0 112.8 -177.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -93.21 -34.7 13.48 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 92.4 mt -109.77 164.48 12.52 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.648 176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.0 mt -111.38 114.03 45.94 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.675 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.26 -37.98 2.02 Favored Glycine 0 C--N 1.305 -1.178 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.466 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -89.59 10.53 22.71 Favored 'General case' 0 CA--C 1.497 -1.062 0 CA-C-O 122.542 1.163 . . . . 0.0 109.6 -175.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.529 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.7 tp10 -86.48 76.09 9.65 Favored 'General case' 0 N--CA 1.392 -3.373 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.509 -174.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -56.22 -29.67 61.29 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 113.887 -1.506 . . . . 0.0 112.56 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.95 -26.66 68.68 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 121.368 0.604 . . . . 0.0 110.529 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.8 t -87.25 -47.01 9.19 Favored 'General case' 0 N--CA 1.422 -1.837 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 10' ' ' GLU . 36.2 t -56.99 -37.88 57.08 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.497 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -62.62 -27.4 42.82 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.532 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -70.28 -41.76 72.98 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.84 0.829 . . . . 0.0 109.02 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.711 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 30.7 m -63.66 -45.4 90.32 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.231 178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.31 -31.16 71.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.377 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.24 71.99 Favored 'General case' 0 CA--C 1.504 -0.822 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.346 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -66.81 -37.52 84.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.846 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.96 29.99 0.91 Allowed Glycine 0 C--N 1.307 -1.061 0 C-N-CA 119.927 -1.13 . . . . 0.0 112.09 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -88.61 159.09 18.04 Favored 'General case' 0 CA--C 1.479 -1.788 0 CA-C-O 120.938 0.399 . . . . 0.0 111.104 177.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.6 tpp180 -72.16 -17.47 61.94 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.122 -0.944 . . . . 0.0 108.774 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.63 177.51 34.76 Favored Glycine 0 N--CA 1.417 -2.574 0 C-N-CA 119.936 -1.126 . . . . 0.0 111.483 176.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.711 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -147.86 167.03 28.82 Favored Glycine 0 N--CA 1.415 -2.722 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.69 ' CE3' ' HG2' ' A' ' 37' ' ' ARG . 3.5 p90 -163.89 154.28 15.31 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 91.8 m -96.45 123.98 40.29 Favored 'General case' 0 C--N 1.28 -2.413 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -82.57 -179.4 7.41 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 m -54.91 -27.65 44.78 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 124.229 1.012 . . . . 0.0 113.442 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -84.35 4.66 30.24 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.319 -0.238 . . . . 0.0 111.184 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp 70.28 24.44 4.79 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.623 0.769 . . . . 0.0 111.24 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 61.6 t -97.21 134.42 35.13 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.526 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.776 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 5.8 m -80.1 122.97 27.44 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.99 176.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -128.69 134.53 48.52 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 40.5 m -116.69 130.07 56.51 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.117 -0.698 . . . . 0.0 109.117 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 174.74 -61.36 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.404 0 O-C-N 123.873 0.733 . . . . 0.0 110.115 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.69 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 11.7 ptm180 . . . . . 0 C--O 1.253 1.239 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.494 -170.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.479 0 N-CA-C 110.395 -1.082 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.689 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 7.2 pt -92.4 117.92 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.191 0 CA-C-O 122.019 0.914 . . . . 0.0 110.966 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.2 m -136.12 153.15 51.38 Favored 'General case' 0 C--N 1.288 -2.078 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 -175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.45 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 63.4 m -121.96 99.28 6.36 Favored 'General case' 0 N--CA 1.422 -1.853 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.476 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -84.9 -35.86 21.86 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 173.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 82.5 mt -110.32 150.74 28.32 Favored 'General case' 0 N--CA 1.41 -2.437 0 CA-C-N 114.014 -1.448 . . . . 0.0 107.648 176.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.5 mt -102.88 117.72 48.7 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.814 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.64 -42.6 3.06 Favored Glycine 0 C--N 1.309 -0.953 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.604 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -89.14 10.88 20.29 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 122.278 1.037 . . . . 0.0 109.433 -175.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.543 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.7 tp10 -86.22 78.06 9.42 Favored 'General case' 0 N--CA 1.396 -3.165 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.963 -172.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -60.91 -21.46 63.4 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.782 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.19 -24.4 63.12 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.614 0.721 . . . . 0.0 109.54 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.2 t -87.55 -48.09 8.2 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.211 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.7 t -54.74 -37.85 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.771 0.828 . . . . 0.0 111.804 -177.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -57.06 -30.16 33.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.734 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.494 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 80.8 t60 -67.33 -44.35 79.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.283 0.563 . . . . 0.0 109.582 179.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.592 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 34.0 m -65.9 -40.55 91.61 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.602 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.38 -31.44 69.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.154 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.81 -40.66 68.98 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.309 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.9 mtpp -71.07 -28.01 64.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.433 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.26 20.98 5.37 Favored Glycine 0 CA--C 1.499 -0.959 0 C-N-CA 119.569 -1.3 . . . . 0.0 112.745 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -79.24 169.2 18.48 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 120.935 0.398 . . . . 0.0 111.024 177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.495 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 6.4 tpm_? -75.69 -20.02 58.7 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.69 -171.88 37.75 Favored Glycine 0 N--CA 1.422 -2.269 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.746 177.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.592 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -153.32 165.88 31.47 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -177.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.448 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 5.9 p90 -163.47 153.65 15.59 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 76.3 m -92.5 134.31 35.09 Favored 'General case' 0 C--N 1.278 -2.509 0 N-CA-C 107.359 -1.349 . . . . 0.0 107.359 170.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.31 -177.78 5.2 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.2 p -62.04 -21.06 64.6 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -83.7 6.94 19.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.031 -0.418 . . . . 0.0 110.538 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt 68.69 19.62 8.46 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.382 0.673 . . . . 0.0 110.944 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.1 t -95.66 136.92 25.11 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.689 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 7.0 m -80.0 118.17 21.49 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.254 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -117.86 139.98 50.35 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 73.7 m -115.63 125.99 53.59 Favored 'General case' 0 C--N 1.296 -1.74 0 C-N-CA 121.362 -0.135 . . . . 0.0 110.66 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' O ' ' HB3' ' A' ' 23' ' ' ARG . 32.2 ttm180 173.95 -54.62 0.01 OUTLIER 'General case' 0 C--O 1.212 -0.892 0 C-N-CA 124.848 1.259 . . . . 0.0 110.364 176.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 123.016 0.527 . . . . 0.0 112.003 -173.359 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.158 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.518 HD12 ' HB2' ' A' ' 33' ' ' CYS . 9.3 pt -64.33 117.99 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-O 121.894 0.854 . . . . 0.0 111.858 179.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.5 m -134.53 157.01 47.64 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 74.5 m -123.1 91.15 3.43 Favored 'General case' 0 C--N 1.295 -1.767 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.679 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -87.15 -35.26 18.72 Favored 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 176.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 94.7 mt -134.07 170.1 16.15 Favored 'General case' 0 N--CA 1.427 -1.625 0 CA-C-N 114.228 -1.351 . . . . 0.0 107.42 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 mt -117.77 132.95 66.08 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.144 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.42 -47.26 3.79 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-O 121.425 0.458 . . . . 0.0 112.094 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -91.46 7.65 40.17 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 122.043 0.925 . . . . 0.0 109.437 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.5 tp10 -83.31 73.22 10.15 Favored 'General case' 0 N--CA 1.413 -2.303 0 CA-C-N 114.289 -1.323 . . . . 0.0 110.371 -175.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -61.43 -30.53 70.63 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 113.438 -1.71 . . . . 0.0 111.808 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.85 -18.46 62.71 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.091 0.472 . . . . 0.0 111.107 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.447 ' CB ' ' HG3' ' A' ' 10' ' ' GLU . 15.2 t -83.86 -48.34 10.14 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 173.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 10' ' ' GLU . 28.6 t -55.92 -39.41 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.353 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.17 -28.06 43.0 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.035 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 45.3 t60 -67.73 -42.89 81.15 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-O 121.53 0.681 . . . . 0.0 109.185 176.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.609 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 60.6 m -66.13 -37.51 85.89 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.021 178.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.66 -32.03 71.58 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.478 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.81 -35.8 70.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.999 0.428 . . . . 0.0 110.179 176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 31.0 mtpp -70.33 -33.72 71.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.018 177.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.82 32.17 2.53 Favored Glycine 0 C--N 1.312 -0.798 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -98.95 157.66 16.17 Favored 'General case' 0 CA--C 1.488 -1.432 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.75 -22.91 67.15 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.26 176.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.56 176.47 33.69 Favored Glycine 0 CA--C 1.487 -1.715 0 C-N-CA 120.071 -1.061 . . . . 0.0 111.671 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.609 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -146.41 160.27 28.16 Favored Glycine 0 N--CA 1.421 -2.351 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -176.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.458 ' CH2' ' HG2' ' A' ' 37' ' ' ARG . 7.3 p90 -160.69 151.31 18.35 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 73.9 m -84.88 135.23 34.16 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -98.95 -176.25 3.28 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 174.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 m -59.64 -20.32 55.25 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 -177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -84.9 3.21 39.17 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.032 -0.418 . . . . 0.0 111.488 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 71.03 14.91 6.73 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.494 1.118 . . . . 0.0 110.437 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.2 t -94.58 133.85 34.09 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB2' HD12 ' A' ' 2' ' ' ILE . 7.1 m -84.98 127.43 34.19 Favored 'General case' 0 N--CA 1.425 -1.687 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.826 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -123.98 148.46 46.94 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.7 m -115.83 122.62 45.95 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 78.1 ttt180 176.26 -53.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 122.685 0.394 . . . . 0.0 110.307 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.458 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 30.3 mmm180 . . . . . 0 C--N 1.32 -0.715 0 CA-C-O 118.839 -0.6 . . . . 0.0 112.067 -171.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.866 0 N-CA-C 110.531 -1.028 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.728 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 9.2 pt -74.06 121.78 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 CA-C-O 121.506 0.67 . . . . 0.0 110.677 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.6 m -139.37 135.47 33.74 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 64.2 m -103.52 112.12 24.88 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.806 0.812 . . . . 0.0 112.944 -177.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -97.23 -49.06 5.1 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 171.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -106.32 162.9 13.27 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.89 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.4 mt -105.08 125.62 60.11 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.924 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.39 -44.77 1.98 Allowed Glycine 0 CA--C 1.533 1.218 0 N-CA-C 114.152 0.421 . . . . 0.0 114.152 -178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -97.76 19.46 13.64 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-O 121.952 0.882 . . . . 0.0 110.437 -172.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.572 ' O ' HG23 ' A' ' 14' ' ' VAL . 14.3 tp10 -85.46 75.59 10.17 Favored 'General case' 0 N--CA 1.396 -3.164 0 CA-C-O 122.483 1.135 . . . . 0.0 110.054 -176.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -55.35 -34.23 64.08 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 113.568 -1.651 . . . . 0.0 112.395 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.4 -21.42 65.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.761 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.5 t -88.03 -49.17 7.22 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 10' ' ' GLU . 44.0 t -51.59 -40.18 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 124.351 1.061 . . . . 0.0 112.61 -176.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 p -52.19 -31.6 14.72 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.256 0 C-N-CA 122.978 0.511 . . . . 0.0 112.098 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.591 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 71.7 t60 -68.27 -44.87 74.6 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-O 121.157 0.503 . . . . 0.0 110.309 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.611 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 55.6 m -67.76 -36.04 79.79 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-O 121.312 0.577 . . . . 0.0 109.906 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.12 -30.86 70.11 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.79 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.39 -38.21 65.7 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.565 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.591 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.3 mtpp -70.12 -26.24 63.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.9 0.381 . . . . 0.0 110.709 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.66 24.92 6.79 Favored Glycine 0 CA--C 1.503 -0.685 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.576 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -86.09 165.25 16.76 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.108 0.563 . . . . 0.0 111.921 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -60.79 -28.11 68.51 Favored 'General case' 0 CA--C 1.502 -0.888 0 O-C-N 124.017 0.823 . . . . 0.0 109.352 174.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.25 -175.69 37.85 Favored Glycine 0 N--CA 1.401 -3.659 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.611 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -143.48 165.31 27.16 Favored Glycine 0 N--CA 1.406 -3.317 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -161.37 150.49 16.31 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 58.8 m -90.89 122.12 33.32 Favored 'General case' 0 C--N 1.279 -2.492 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 168.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.32 179.87 6.69 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.2 t -66.38 -30.54 70.94 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -75.8 5.06 6.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.189 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm 64.95 25.89 12.74 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.849 1.26 . . . . 0.0 111.323 175.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -100.07 131.98 46.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.063 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.728 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 1.5 m -78.62 110.66 13.94 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 124.295 0.997 . . . . 0.0 109.812 174.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -118.76 145.55 45.49 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.56 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 85.8 m -115.46 121.37 42.52 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 77.4 ttt180 172.68 -42.35 0.01 OUTLIER 'General case' 0 C--N 1.356 0.888 0 O-C-N 124.026 0.829 . . . . 0.0 110.467 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 . . . . . 0 C--N 1.321 -0.668 0 CA-C-O 118.441 -0.79 . . . . 0.0 111.463 -174.522 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.038 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.532 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 11.4 pt -82.78 116.59 27.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-O 122.284 1.04 . . . . 0.0 112.213 -178.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.9 m -144.01 145.36 32.16 Favored 'General case' 0 C--N 1.288 -2.092 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.9 m -105.08 98.85 8.5 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -93.77 -35.68 12.65 Favored 'General case' 0 C--N 1.307 -1.25 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 94.4 mt -118.37 148.05 42.91 Favored 'General case' 0 N--CA 1.425 -1.719 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 174.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.1 mp -95.47 115.61 34.93 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.751 0 CA-C-O 121.214 0.53 . . . . 0.0 109.792 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.19 -38.42 2.22 Favored Glycine 0 C--N 1.303 -1.27 0 CA-C-N 115.187 -0.915 . . . . 0.0 113.604 177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.57 6.24 24.58 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-O 122.565 1.174 . . . . 0.0 109.137 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.561 ' HB2' ' O ' ' A' ' 6' ' ' LEU . 14.4 tp10 -81.89 72.53 8.94 Favored 'General case' 0 N--CA 1.405 -2.716 0 CA-C-N 113.572 -1.649 . . . . 0.0 109.771 -175.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -59.46 -30.97 68.89 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.305 -1.316 . . . . 0.0 112.165 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.04 -19.13 65.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.04 178.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' CB ' ' HG3' ' A' ' 10' ' ' GLU . 15.7 t -86.34 -50.76 6.68 Favored 'General case' 0 N--CA 1.435 -1.195 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 175.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 21.6 t -55.02 -39.84 51.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 115.219 -0.9 . . . . 0.0 111.374 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.02 -27.6 42.73 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -70.79 -40.6 72.45 Favored 'General case' 0 C--O 1.242 0.666 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.741 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 24.9 m -65.93 -43.43 88.11 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.095 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 84.3 mt -65.32 -31.76 73.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.439 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.89 -43.91 74.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.144 0.497 . . . . 0.0 110.119 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -69.85 -18.55 63.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.063 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.61 9.61 20.89 Favored Glycine 0 CA--C 1.491 -1.435 0 C-N-CA 119.954 -1.117 . . . . 0.0 112.357 173.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -75.23 159.54 31.43 Favored 'General case' 0 C--N 1.296 -1.754 0 C-N-CA 122.801 0.44 . . . . 0.0 110.924 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -73.74 -23.81 59.8 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.32 171.18 28.14 Favored Glycine 0 C--O 1.279 2.965 0 C-N-CA 118.268 -1.92 . . . . 0.0 114.686 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.741 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -139.89 153.61 23.33 Favored Glycine 0 N--CA 1.405 -3.425 0 CA-C-N 112.607 -1.796 . . . . 0.0 110.359 -175.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 37' ' ' ARG . 8.6 p90 -152.89 154.35 34.9 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -175.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 81.2 m -86.65 122.21 30.24 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 172.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -86.23 -172.74 4.21 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 p -59.49 -24.41 63.58 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.1 mtm180 -88.3 5.61 41.06 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 122.454 0.301 . . . . 0.0 110.977 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 67.37 26.2 8.49 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.967 0.907 . . . . 0.0 110.774 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 61.4 t -101.2 134.39 41.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.243 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.532 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 8.4 m -78.62 118.87 21.13 Favored 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.218 173.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 17.3 m-80 -116.29 133.31 56.16 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 27.2 m -115.02 121.62 43.68 Favored 'General case' 0 C--N 1.275 -2.635 0 N-CA-C 105.078 -2.193 . . . . 0.0 105.078 173.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 73.8 ttt180 177.18 -22.55 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 119.595 -0.842 . . . . 0.0 112.214 -173.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 14.3 ptm180 . . . . . 0 N--CA 1.423 -1.793 0 CA-C-O 117.191 -1.385 . . . . 0.0 110.997 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.731 0 N-CA-C 112.331 -0.308 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.439 ' H ' HG12 ' A' ' 2' ' ' ILE . 3.8 pt -72.75 145.76 11.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.009 0.433 . . . . 0.0 111.708 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.6 m -137.47 145.18 42.77 Favored 'General case' 0 C--N 1.293 -1.864 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -175.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.6 m -108.28 121.78 45.61 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 120.88 0.371 . . . . 0.0 110.797 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -98.92 -45.83 5.84 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 173.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -106.51 169.47 8.5 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.629 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.5 mt -113.9 131.62 65.28 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.47 -36.6 0.98 Allowed Glycine 0 CA--C 1.537 1.428 0 N-CA-C 114.664 0.626 . . . . 0.0 114.664 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -103.72 13.15 33.7 Favored 'General case' 0 CA--C 1.499 -0.997 0 CA-C-O 121.677 0.751 . . . . 0.0 110.738 -173.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 14' ' ' VAL . 14.9 tp10 -86.54 65.62 9.12 Favored 'General case' 0 C--N 1.29 -1.984 0 CA-C-O 122.263 1.03 . . . . 0.0 110.729 -175.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' HA ' ' CG2' ' A' ' 14' ' ' VAL . 40.4 ttm180 -64.07 -25.5 68.13 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-N 114.832 -1.076 . . . . 0.0 112.114 -176.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.7 -23.97 67.42 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.8 t -88.01 -39.66 14.49 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 119.597 -0.841 . . . . 0.0 109.442 173.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 25' ' ' GLY . 50.1 t -54.59 -35.2 31.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.014 0.926 . . . . 0.0 111.599 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.6 p -55.43 -32.29 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.554 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.9 t60 -65.8 -43.39 88.82 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.576 0.703 . . . . 0.0 110.046 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.757 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 26.1 m -66.27 -40.09 89.89 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.61 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.2 mt -69.39 -31.75 70.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.424 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.58 69.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.31 177.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -74.51 -28.67 61.09 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.048 0.451 . . . . 0.0 110.935 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.11 24.53 6.84 Favored Glycine 0 N--CA 1.431 -1.692 0 C-N-CA 119.932 -1.128 . . . . 0.0 111.78 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -82.42 162.37 22.15 Favored 'General case' 0 C--N 1.31 -1.145 0 C-N-CA 123.012 0.525 . . . . 0.0 109.777 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' HB2' ' OXT' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -76.32 -18.87 58.72 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.05 166.26 21.55 Favored Glycine 0 N--CA 1.401 -3.661 0 CA-C-O 122.96 1.311 . . . . 0.0 114.66 173.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.757 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -140.91 154.17 24.24 Favored Glycine 0 N--CA 1.396 -3.99 0 CA-C-N 112.266 -1.967 . . . . 0.0 108.671 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.464 ' HZ3' ' H ' ' A' ' 37' ' ' ARG . 4.7 p90 -162.29 151.19 15.22 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 81.2 m -87.68 123.25 32.32 Favored 'General case' 0 C--N 1.28 -2.414 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 173.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -91.26 -174.49 3.96 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 m -60.09 -22.85 63.26 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -84.06 3.97 32.22 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.123 -0.361 . . . . 0.0 111.183 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 68.89 22.9 6.96 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.603 0.761 . . . . 0.0 110.528 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.6 t -98.57 132.94 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.283 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.677 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.4 m -76.57 116.67 17.46 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.128 -0.942 . . . . 0.0 108.577 171.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.545 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 19.2 m-80 -118.54 112.69 20.21 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 32.3 m -97.75 114.05 25.96 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 103.735 -2.691 . . . . 0.0 103.735 169.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -165.67 -38.53 0.03 OUTLIER 'General case' 0 CA--C 1.492 -1.27 0 C-N-CA 117.441 -1.703 . . . . 0.0 111.868 -170.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.522 ' OXT' ' HB2' ' A' ' 23' ' ' ARG . 16.9 ptt180 . . . . . 0 C--N 1.294 -1.844 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.156 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.601 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.6 pt -69.02 121.59 18.67 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 121.694 0.759 . . . . 0.0 111.643 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.7 m -142.97 144.5 32.36 Favored 'General case' 0 C--N 1.283 -2.309 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 78.7 m -121.5 113.56 20.0 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.576 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -109.12 -28.69 8.92 Favored 'General case' 0 C--N 1.288 -2.1 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 173.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.1 mt -112.24 168.33 9.71 Favored 'General case' 0 N--CA 1.405 -2.687 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 174.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 52.7 mt -127.66 119.02 50.76 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.501 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.15 -38.41 2.73 Favored Glycine 0 C--O 1.221 -0.704 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -89.6 0.56 56.85 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 122.525 1.155 . . . . 0.0 107.945 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.0 tp10 -84.26 67.09 9.66 Favored 'General case' 0 N--CA 1.421 -1.908 0 CA-C-N 113.783 -1.553 . . . . 0.0 108.268 -178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 16.3 tpp180 -66.35 -23.29 66.32 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.452 -174.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.5 mt -65.3 -24.29 67.25 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.621 176.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 t -86.98 -47.06 9.27 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.43 ' HB ' ' HD3' ' A' ' 11' ' ' ARG . 26.0 t -57.67 -35.42 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.508 -177.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.6 p -64.09 -25.76 38.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.451 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 78.5 t60 -69.85 -38.19 76.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.966 0.888 . . . . 0.0 109.135 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.823 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 30.1 m -67.39 -40.23 85.64 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.001 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.72 -31.59 71.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.294 177.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.59 73.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.768 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HE3' ' NE2' ' A' ' 16' ' ' HIS . 95.3 mttt -66.67 -38.37 86.68 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.624 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.57 42.76 0.52 Allowed Glycine 0 C--N 1.306 -1.096 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -178.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -104.58 162.16 13.5 Favored 'General case' 0 CA--C 1.477 -1.861 0 C-N-CA 122.779 0.432 . . . . 0.0 110.223 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -83.69 -11.17 57.55 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.13 164.97 19.43 Favored Glycine 0 N--CA 1.405 -3.418 0 C-N-CA 119.265 -1.445 . . . . 0.0 113.501 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.823 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.39 154.95 26.07 Favored Glycine 1 N--CA 1.391 -4.33 0 CA-C-N 112.835 -1.683 . . . . 0.0 108.994 -177.254 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.454 ' CH2' ' HG3' ' A' ' 37' ' ' ARG . 5.8 p90 -154.17 155.91 36.2 Favored 'General case' 0 C--N 1.275 -2.64 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -175.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 61.2 m -90.25 126.84 35.97 Favored 'General case' 0 C--N 1.276 -2.593 0 N-CA-C 107.902 -1.148 . . . . 0.0 107.902 175.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' OD2' ' HB ' ' A' ' 32' ' ' VAL . 2.3 p30 -84.7 179.08 7.43 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.034 -1.066 . . . . 0.0 108.217 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.8 m -61.36 -14.52 28.13 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 -91.71 5.5 49.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.091 -0.381 . . . . 0.0 110.018 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 70.0 18.31 7.21 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.161 0.984 . . . . 0.0 111.495 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.439 ' HB ' ' OD2' ' A' ' 28' ' ' ASP . 86.8 t -87.41 132.65 32.19 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.369 179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.601 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 9.2 m -77.97 116.31 18.36 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.562 176.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.0 m-80 -117.15 127.54 54.22 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 38.9 m -112.4 121.41 44.77 Favored 'General case' 0 C--N 1.282 -2.331 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 173.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 179.52 -28.77 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.664 -170.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.454 ' HG3' ' CH2' ' A' ' 26' ' ' TRP . 74.7 mtp180 . . . . . 0 N--CA 1.432 -1.339 0 CA-C-O 119.028 -0.511 . . . . 0.0 109.949 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.966 0 N-CA-C 110.528 -1.029 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 pt -66.9 122.85 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 CA-C-O 121.931 0.872 . . . . 0.0 111.558 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.8 m -123.2 144.59 49.27 Favored 'General case' 0 C--N 1.269 -2.902 0 N-CA-C 105.532 -2.025 . . . . 0.0 105.532 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 60.6 m -127.74 82.32 2.08 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-O 121.79 0.805 . . . . 0.0 109.899 175.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -94.13 -30.42 14.65 Favored 'General case' 0 C--N 1.284 -2.276 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 93.6 mt -111.5 147.77 34.6 Favored 'General case' 0 N--CA 1.402 -2.873 0 CA-C-N 114.26 -1.336 . . . . 0.0 109.536 174.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 76.1 mt -103.18 127.63 56.89 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.061 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 175.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.469 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 79.4 -47.73 3.27 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 121.329 -0.462 . . . . 0.0 114.017 -178.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -95.04 19.52 10.31 Favored 'General case' 0 CA--C 1.487 -1.451 0 C-N-CA 124.226 1.01 . . . . 0.0 110.388 -173.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.4 tp10 -90.31 82.39 5.97 Favored 'General case' 1 N--CA 1.378 -4.026 0 CA-C-O 122.426 1.108 . . . . 0.0 112.021 -171.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -56.03 -28.68 58.43 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.258 -1.792 . . . . 0.0 112.413 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.16 -25.63 67.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.503 0.668 . . . . 0.0 110.491 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.4 t -86.82 -45.51 10.82 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 176.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 10' ' ' GLU . 46.9 t -51.52 -46.24 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.834 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.08 -26.6 40.88 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.91 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.497 ' NE2' ' HE3' ' A' ' 20' ' ' LYS . 80.0 t60 -73.43 -40.45 64.21 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 177.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 61.1 m -67.15 -36.11 81.13 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.336 177.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 90.6 mt -69.35 -32.44 71.52 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.16 -37.13 80.69 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.669 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HE3' ' NE2' ' A' ' 16' ' ' HIS . 91.3 mttt -72.36 -37.79 68.72 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 177.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.07 52.68 0.31 Allowed Glycine 0 C--N 1.305 -1.15 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.8 163.26 20.56 Favored 'General case' 0 CA--C 1.485 -1.54 0 C-N-CA 123.281 0.632 . . . . 0.0 111.556 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -64.56 -28.89 69.94 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.44 -170.76 37.28 Favored Glycine 0 N--CA 1.417 -2.618 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.694 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -148.57 166.61 29.18 Favored Glycine 0 N--CA 1.416 -2.66 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.394 -176.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.469 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.4 p90 -154.22 134.79 13.51 Favored 'General case' 0 C--N 1.282 -2.35 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 88.8 m -80.12 127.04 31.85 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 169.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -92.84 -171.4 2.71 Favored 'General case' 0 C--N 1.295 -1.795 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -60.77 -25.45 66.53 Favored 'General case' 0 C--N 1.313 -0.987 0 C-N-CA 123.749 0.82 . . . . 0.0 112.416 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -76.31 -6.56 52.06 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.285 -0.259 . . . . 0.0 111.074 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 69.68 26.95 4.82 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.08 0.952 . . . . 0.0 110.225 -176.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.585 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 92.9 t -99.69 137.06 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.821 -1.081 . . . . 0.0 108.108 177.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 53.3 t -78.58 114.69 17.72 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -114.08 142.6 46.0 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 75.6 m -115.87 124.85 51.68 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 12.8 ttp180 169.96 -42.51 0.0 OUTLIER 'General case' 0 C--N 1.355 0.826 0 C-N-CA 125.462 1.505 . . . . 0.0 110.429 177.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 118.942 -0.552 . . . . 0.0 110.775 -175.695 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.244 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.3 pt -72.96 134.76 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-O 121.406 0.622 . . . . 0.0 111.349 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.6 m -143.3 162.24 36.2 Favored 'General case' 0 C--N 1.283 -2.323 0 N-CA-C 105.82 -1.918 . . . . 0.0 105.82 -178.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 83.5 m -137.29 94.95 3.0 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 118.498 0.59 . . . . 0.0 111.525 175.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -103.17 -34.6 8.78 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 105.607 -1.997 . . . . 0.0 105.607 170.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 91.1 mt -107.16 146.23 31.59 Favored 'General case' 0 N--CA 1.41 -2.445 0 CA-C-N 114.069 -1.423 . . . . 0.0 109.023 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.9 mt -97.73 127.77 49.74 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.147 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 173.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 -42.68 1.85 Allowed Glycine 0 CA--C 1.536 1.369 0 N-CA-C 115.145 0.818 . . . . 0.0 115.145 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -97.28 14.33 26.44 Favored 'General case' 0 N--CA 1.485 1.324 0 CA-C-O 122.724 1.25 . . . . 0.0 109.877 -174.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.5 tp10 -83.54 85.52 7.24 Favored 'General case' 0 N--CA 1.386 -3.668 0 CA-C-N 114.189 -1.369 . . . . 0.0 111.225 -174.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -50.49 -30.95 13.99 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-N 113.161 -1.836 . . . . 0.0 113.194 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.46 -24.79 67.74 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-O 121.598 0.714 . . . . 0.0 110.857 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.0 t -87.14 -49.36 7.35 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.762 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 25' ' ' GLY . 21.6 t -52.3 -46.85 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.515 -177.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -60.77 -29.98 46.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.871 -177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.413 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 63.5 t60 -69.55 -43.26 73.33 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.734 0.778 . . . . 0.0 109.393 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.673 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 58.8 m -70.59 -36.24 73.45 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.118 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.78 -32.8 74.32 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.8 -34.01 66.61 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.3 0.572 . . . . 0.0 110.485 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 16' ' ' HIS . 28.6 mtpp -76.51 -24.78 53.73 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.561 177.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.84 25.03 4.68 Favored Glycine 0 C--N 1.315 -0.637 0 C-N-CA 120.12 -1.038 . . . . 0.0 112.627 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -97.07 159.89 14.65 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 122.482 0.313 . . . . 0.0 110.723 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -56.21 -28.95 60.17 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 123.829 0.706 . . . . 0.0 110.055 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.23 -177.17 37.67 Favored Glycine 0 N--CA 1.403 -3.513 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 178.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.673 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -142.04 154.91 25.23 Favored Glycine 0 N--CA 1.405 -3.398 0 N-CA-C 110.08 -1.208 . . . . 0.0 110.08 -178.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.459 ' HZ3' ' N ' ' A' ' 36' ' ' ARG . 5.6 p90 -143.37 135.48 26.9 Favored 'General case' 0 C--N 1.274 -2.692 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 -177.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' A' ' 31' ' ' LYS . 53.7 t -83.81 123.38 29.83 Favored 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 172.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -89.66 -175.21 4.59 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.18 -175.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -59.11 -25.33 63.73 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 123.971 0.908 . . . . 0.0 112.283 -178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -80.03 -3.82 50.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.929 0.491 . . . . 0.0 110.889 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 34.7 mmtp 67.49 35.7 4.1 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.53 1.132 . . . . 0.0 110.391 178.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 98.2 t -108.73 136.31 44.87 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.526 0 CA-C-N 114.467 -1.242 . . . . 0.0 107.773 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 47.8 t -79.17 112.82 16.77 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -110.88 144.37 40.04 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 64.1 m -114.99 126.14 54.41 Favored 'General case' 0 C--N 1.302 -1.496 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.895 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 71.6 ttt180 169.15 -37.17 0.0 OUTLIER 'General case' 0 C--N 1.361 1.078 0 C-N-CA 124.7 1.2 . . . . 0.0 110.053 177.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 . . . . . 0 CA--C 1.492 -1.286 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 -175.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.896 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.666 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 7.9 pt -90.13 117.6 33.75 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.799 0 CA-C-O 121.938 0.875 . . . . 0.0 110.232 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.2 m -137.38 151.95 49.13 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 -177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.404 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 78.5 m -121.65 104.74 9.83 Favored 'General case' 0 C--N 1.3 -1.568 0 C-N-CA 120.503 -0.479 . . . . 0.0 112.138 -178.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -98.08 -34.32 10.82 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 174.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 85.0 mt -120.41 157.99 28.12 Favored 'General case' 0 N--CA 1.423 -1.811 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.347 173.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 48.7 mm -95.67 125.48 48.43 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.784 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.78 -41.49 1.03 Allowed Glycine 0 CA--C 1.535 1.291 0 CA-C-N 115.21 -0.905 . . . . 0.0 114.699 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -89.39 8.43 30.77 Favored 'General case' 0 CA--C 1.486 -1.483 0 CA-C-O 122.159 0.98 . . . . 0.0 110.281 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.3 tp10 -82.45 78.23 9.13 Favored 'General case' 0 N--CA 1.396 -3.136 0 CA-C-N 114.282 -1.326 . . . . 0.0 109.145 -178.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -56.78 -34.01 67.21 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.156 -1.838 . . . . 0.0 112.891 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.18 -19.59 65.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.362 0.601 . . . . 0.0 110.793 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.2 t -87.01 -48.57 7.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 174.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 10' ' ' GLU . 35.4 t -56.6 -37.5 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.636 -177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -61.35 -26.48 39.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 120.89 0.376 . . . . 0.0 111.717 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -67.69 -42.76 81.55 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-O 122.031 0.92 . . . . 0.0 108.951 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.658 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 25.1 m -68.43 -39.76 81.43 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.549 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 77.2 mt -68.32 -32.12 72.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.52 -43.94 65.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.123 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.31 -36.87 82.38 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.039 0.447 . . . . 0.0 111.733 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.1 49.0 0.31 Allowed Glycine 0 N--CA 1.435 -1.414 0 C-N-CA 120.007 -1.092 . . . . 0.0 111.762 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -108.23 165.0 11.82 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 122.695 0.398 . . . . 0.0 110.991 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 36' ' ' ARG . 42.4 ttm180 -65.39 -28.57 69.36 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 172.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.29 -169.76 36.92 Favored Glycine 0 N--CA 1.417 -2.611 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.734 178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.658 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -152.27 165.67 30.9 Favored Glycine 0 N--CA 1.419 -2.485 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -177.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.3 p90 -160.03 150.39 18.63 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-O 121.137 0.494 . . . . 0.0 109.883 -177.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 84.0 m -88.52 127.62 35.54 Favored 'General case' 0 C--N 1.284 -2.24 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 169.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -91.35 -178.04 5.02 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.4 t -60.84 -23.15 64.89 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -80.25 -1.49 40.92 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 122.1 -0.375 . . . . 0.0 111.083 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 74.6 21.65 2.19 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 124.702 1.201 . . . . 0.0 110.325 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 58.5 t -97.22 138.37 22.33 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.71 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.666 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 m -82.37 117.06 22.15 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.973 175.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -119.31 139.42 51.98 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 63.0 m -115.9 129.54 56.45 Favored 'General case' 0 C--N 1.288 -2.083 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 17.7 ttm180 172.28 -47.73 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.551 0 O-C-N 123.955 0.784 . . . . 0.0 109.792 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 . . . . . 0 C--N 1.306 -1.291 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.811 -172.019 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.175 0 N-CA-C 112.306 -0.318 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.515 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 5.3 pt -68.67 127.15 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-O 121.624 0.726 . . . . 0.0 112.708 -176.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.2 m -143.87 134.56 25.03 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 68.9 m -108.64 103.34 12.42 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.186 0.517 . . . . 0.0 111.968 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -100.0 -34.57 10.04 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 173.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.3 mt -116.42 157.72 24.66 Favored 'General case' 0 N--CA 1.415 -2.197 0 CA-C-N 114.126 -1.397 . . . . 0.0 108.401 176.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.8 mt -108.16 124.9 64.77 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 176.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.06 -44.17 2.57 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 121.305 -0.474 . . . . 0.0 113.748 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -92.39 16.58 11.46 Favored 'General case' 0 CA--C 1.489 -1.37 0 CA-C-O 122.13 0.967 . . . . 0.0 109.628 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.6 tp10 -88.2 76.46 8.44 Favored 'General case' 0 N--CA 1.392 -3.356 0 CA-C-O 122.233 1.016 . . . . 0.0 111.713 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -57.62 -31.64 66.44 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 113.978 -1.464 . . . . 0.0 112.599 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.68 -22.2 66.61 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.506 0.67 . . . . 0.0 110.283 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -87.39 -47.9 8.41 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 10' ' ' GLU . 38.1 t -53.59 -41.54 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.31 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -59.73 -28.86 41.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 122.75 0.42 . . . . 0.0 111.933 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.409 ' CE1' ' HE3' ' A' ' 20' ' ' LYS . 83.2 t60 -67.01 -42.07 85.57 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-O 122.1 0.953 . . . . 0.0 108.873 179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.808 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 29.6 m -70.8 -34.23 71.54 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.37 -1.287 . . . . 0.0 109.717 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 76.6 mt -71.29 -31.8 67.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.268 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.87 -35.04 62.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.489 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' HE3' ' CE1' ' A' ' 16' ' ' HIS . 92.7 mttt -71.1 -36.33 72.14 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 121.158 0.504 . . . . 0.0 111.281 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.24 52.13 0.74 Allowed Glycine 0 N--CA 1.43 -1.753 0 N-CA-C 110.356 -1.097 . . . . 0.0 110.356 -177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -109.63 158.47 18.02 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.391 0.615 . . . . 0.0 111.779 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -62.83 -24.01 67.56 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.935 -1.484 . . . . 0.0 109.067 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.69 166.51 20.58 Favored Glycine 0 N--CA 1.415 -2.748 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.839 176.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.808 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.21 158.51 27.48 Favored Glycine 0 N--CA 1.413 -2.869 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.408 ' HZ3' ' H ' ' A' ' 37' ' ' ARG . 7.4 p90 -163.62 152.77 14.35 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 117.07 0.435 . . . . 0.0 109.956 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.402 ' SG ' ' HG2' ' A' ' 10' ' ' GLU . 87.1 m -85.63 117.75 24.71 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 168.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -82.44 -176.3 6.15 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 m -64.82 -18.69 65.35 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 123.605 0.762 . . . . 0.0 111.75 -174.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.34 10.88 23.2 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.299 -0.251 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp 64.99 29.02 12.43 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.872 0.869 . . . . 0.0 110.527 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -112.73 132.72 60.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.074 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.526 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.515 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 14.0 m -79.98 124.13 28.42 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 124.122 0.889 . . . . 0.0 111.452 176.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -123.85 136.94 54.69 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 37.6 m -115.97 110.33 18.8 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 174.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 -163.3 -51.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.65 0.738 . . . . 0.0 110.162 -175.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' H ' ' HZ3' ' A' ' 26' ' ' TRP . 77.8 mtp180 . . . . . 0 CA--C 1.496 -1.103 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.89 -169.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.4 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.727 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 4.9 pt -69.6 126.22 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.314 0 CA-C-O 121.205 0.526 . . . . 0.0 111.494 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.7 m -139.87 146.66 39.58 Favored 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.414 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 61.1 m -120.22 106.36 11.85 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.087 0.47 . . . . 0.0 111.583 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -95.32 -33.28 12.6 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 174.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.14 157.0 19.18 Favored 'General case' 0 N--CA 1.413 -2.325 0 CA-C-N 114.459 -1.246 . . . . 0.0 108.858 176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 74.4 mt -107.73 119.14 56.81 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.551 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.7 -39.47 1.76 Allowed Glycine 0 CA--C 1.525 0.669 0 CA-C-N 116.293 -0.412 . . . . 0.0 113.51 -178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -92.98 10.48 31.17 Favored 'General case' 0 CA--C 1.493 -1.232 0 C-N-CA 124.107 0.963 . . . . 0.0 110.251 -173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.475 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.9 tp10 -84.73 74.59 10.43 Favored 'General case' 0 N--CA 1.404 -2.755 0 CA-C-N 114.649 -1.16 . . . . 0.0 109.418 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -56.71 -33.75 66.8 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 113.699 -1.591 . . . . 0.0 112.209 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.5 mt -63.34 -24.3 67.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.199 0.523 . . . . 0.0 110.321 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.6 t -87.53 -44.8 11.01 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.834 176.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 10' ' ' GLU . 45.0 t -54.91 -41.07 55.88 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 C-N-CA 123.478 0.711 . . . . 0.0 111.475 -178.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -60.03 -29.16 42.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.481 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.54 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 72.4 t60 -69.19 -42.32 75.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.297 0.57 . . . . 0.0 109.493 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.752 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 38.4 m -63.58 -42.3 98.31 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.177 178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 75.6 mt -68.06 -31.85 71.79 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.734 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.01 -40.89 78.42 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.614 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 29.6 mtpp -70.76 -27.29 63.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.124 178.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.59 30.87 3.63 Favored Glycine 0 CA--C 1.5 -0.844 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.852 176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -84.77 162.99 19.39 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -73.95 -19.06 60.79 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.209 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.16 164.95 18.22 Favored Glycine 0 N--CA 1.418 -2.559 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.069 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.752 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -144.63 154.31 25.72 Favored Glycine 0 N--CA 1.419 -2.463 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.478 ' CZ3' ' HG2' ' A' ' 37' ' ' ARG . 1.3 p90 -162.54 142.49 9.56 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.285 0.564 . . . . 0.0 109.985 -177.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 91.3 m -85.02 123.21 30.3 Favored 'General case' 0 C--N 1.285 -2.216 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 170.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -90.84 -171.44 3.02 Favored 'General case' 0 C--N 1.294 -1.834 0 C-N-CA 119.031 -1.068 . . . . 0.0 109.66 -177.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -57.54 -20.91 34.94 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.139 0.975 . . . . 0.0 111.934 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.2 mtp180 -76.24 -7.22 54.39 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.527 0.731 . . . . 0.0 111.943 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt 67.54 23.36 8.95 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.73 0.776 . . . . 0.0 109.478 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 69.5 t -110.42 139.89 31.9 Favored 'Isoleucine or valine' 0 C--O 1.261 1.673 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.952 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.727 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 13.8 m -74.84 120.82 20.91 Favored 'General case' 0 N--CA 1.429 -1.51 0 O-C-N 124.81 1.319 . . . . 0.0 110.79 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -119.72 127.4 52.82 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 176.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 33.0 m -116.34 123.41 47.55 Favored 'General case' 0 C--N 1.28 -2.447 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 172.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 178.18 -48.1 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.054 0.388 . . . . 0.0 111.869 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 14.3 ptm180 . . . . . 0 C--N 1.31 -1.15 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -171.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.878 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.478 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 13.8 pt -73.25 117.28 16.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.685 0.755 . . . . 0.0 110.646 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.9 m -135.5 155.28 50.77 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 106.996 -1.483 . . . . 0.0 106.996 -175.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.495 ' HB2' ' HE2' ' A' ' 31' ' ' LYS . 68.4 m -113.3 92.53 4.03 Favored 'General case' 0 N--CA 1.417 -2.114 0 CA-C-O 121.665 0.745 . . . . 0.0 111.671 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -88.73 -35.5 16.68 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -115.98 162.39 17.44 Favored 'General case' 0 N--CA 1.409 -2.484 0 CA-C-N 114.244 -1.344 . . . . 0.0 107.843 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 63.3 mt -114.19 119.56 61.62 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.292 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.51 -37.96 1.86 Allowed Glycine 0 N--CA 1.473 1.123 0 CA-C-O 121.523 0.513 . . . . 0.0 113.302 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -88.31 2.13 53.1 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 -178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 14' ' ' VAL . 11.4 tp10 -79.49 67.88 5.36 Favored 'General case' 0 N--CA 1.424 -1.775 0 CA-C-N 114.014 -1.448 . . . . 0.0 109.412 -176.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -66.96 -23.7 65.98 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.247 -174.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.53 -23.28 65.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.207 0.527 . . . . 0.0 109.989 176.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.7 t -86.91 -46.99 9.37 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 10' ' ' GLU . 22.5 t -51.93 -45.03 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.453 0.701 . . . . 0.0 111.251 -178.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.51 -31.31 43.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.077 -178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.523 ' NE2' ' HD2' ' A' ' 20' ' ' LYS . 72.9 t60 -64.39 -43.78 93.35 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 121.509 0.671 . . . . 0.0 109.404 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.726 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 60.2 m -69.85 -38.48 76.47 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.073 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.29 -32.16 73.4 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.876 0.369 . . . . 0.0 110.279 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.36 -35.24 58.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.965 178.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HD2' ' NE2' ' A' ' 16' ' ' HIS . 30.5 mtpp -72.71 -29.54 63.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.62 0.248 . . . . 0.0 111.506 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.66 39.7 0.65 Allowed Glycine 0 CA--C 1.5 -0.874 0 C-N-CA 120.36 -0.924 . . . . 0.0 111.583 178.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -117.73 156.39 28.35 Favored 'General case' 0 C--N 1.296 -1.759 0 C-N-CA 123.496 0.718 . . . . 0.0 110.417 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -76.9 -13.9 59.93 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.46 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.35 158.43 9.59 Favored Glycine 0 N--CA 1.416 -2.666 0 C-N-CA 118.695 -1.717 . . . . 0.0 114.601 174.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.726 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -130.2 149.13 18.83 Favored Glycine 0 N--CA 1.403 -3.543 0 CA-C-N 112.937 -1.631 . . . . 0.0 109.073 -179.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 7.2 p90 -149.37 164.34 35.2 Favored 'General case' 0 C--N 1.274 -2.688 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 71.6 m -97.5 120.13 37.31 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.409 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.46 -179.99 3.22 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.473 176.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -68.88 -9.79 53.51 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 122.097 0.951 . . . . 0.0 110.737 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 49.9 mtm180 -83.2 -4.29 58.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.921 -1.036 . . . . 0.0 110.119 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.495 ' HE2' ' HB2' ' A' ' 4' ' ' CYS . 13.4 mmmm 66.27 26.12 10.42 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.226 1.01 . . . . 0.0 111.944 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.5 t -111.05 138.01 41.11 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.478 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 14.1 m -73.44 133.77 43.79 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 124.558 1.161 . . . . 0.0 110.876 173.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -136.5 149.46 48.18 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 57.7 m -115.45 121.46 42.81 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 36.6 ttp180 173.63 -16.51 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 O-C-N 123.371 0.42 . . . . 0.0 111.682 -176.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 . . . . . 0 C--N 1.318 -0.804 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.291 -177.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.119 0 N-CA-C 110.514 -1.034 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.524 HD12 ' HB3' ' A' ' 33' ' ' CYS . 9.5 pt -74.97 142.06 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.582 0 CA-C-O 121.129 0.49 . . . . 0.0 111.165 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.4 m -133.46 145.23 50.03 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.473 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 65.0 m -134.31 89.17 2.53 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 120.953 0.406 . . . . 0.0 110.893 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -90.84 -34.93 15.08 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 174.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 96.1 mt -113.53 146.04 40.28 Favored 'General case' 0 N--CA 1.416 -2.143 0 CA-C-N 114.022 -1.444 . . . . 0.0 111.279 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.2 mt -85.83 125.69 40.56 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.035 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 171.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.542 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 72.95 -44.66 1.05 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 115.947 1.139 . . . . 0.0 115.947 177.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -84.31 -5.32 59.25 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 123.796 0.838 . . . . 0.0 110.011 -171.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' HG2' ' HA ' ' A' ' 4' ' ' CYS . 10.3 tp10 -72.18 84.68 1.03 Allowed 'General case' 0 N--CA 1.403 -2.815 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.74 -175.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -52.14 -32.96 38.06 Favored 'General case' 0 C--N 1.291 -1.946 0 CA-C-N 112.4 -2.182 . . . . 0.0 111.643 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.93 -19.12 63.4 Favored 'General case' 0 CA--C 1.517 -0.327 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.5 t -86.79 -44.26 11.88 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 175.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 24.6 t -53.7 -47.99 61.12 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.836 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 p -60.82 -26.83 39.64 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.979 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -71.56 -44.08 65.19 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.791 0.805 . . . . 0.0 108.925 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.663 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 53.5 m -69.14 -34.24 74.69 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.752 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 86.7 mt -70.09 -31.54 69.16 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.406 177.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.13 77.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.316 . . . . 0.0 110.507 175.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -70.15 -33.4 71.73 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.23 43.19 0.79 Allowed Glycine 0 C--N 1.304 -1.209 0 C-N-CA 120.094 -1.051 . . . . 0.0 111.401 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -108.31 167.19 10.2 Favored 'General case' 0 C--N 1.29 -2.016 0 C-N-CA 123.503 0.721 . . . . 0.0 110.362 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.52 -31.0 72.03 Favored 'General case' 0 CA--C 1.502 -0.866 0 O-C-N 124.001 0.813 . . . . 0.0 109.039 171.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.33 -171.05 37.25 Favored Glycine 0 N--CA 1.416 -2.661 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.663 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -149.72 160.25 28.41 Favored Glycine 0 N--CA 1.409 -3.12 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -175.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.542 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.9 p90 -154.69 134.26 12.73 Favored 'General case' 0 C--N 1.283 -2.315 0 CA-C-O 121.235 0.541 . . . . 0.0 109.629 -177.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.672 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 73.6 m -79.28 124.83 28.75 Favored 'General case' 0 C--N 1.284 -2.268 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 170.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -88.05 -170.22 2.89 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.177 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.3 m -62.83 -19.77 64.41 Favored 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 -82.76 -3.85 57.13 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 66.61 30.57 8.28 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.368 1.067 . . . . 0.0 111.091 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.672 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 96.1 t -98.8 134.38 37.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' HB3' HD12 ' A' ' 2' ' ' ILE . 46.0 t -76.94 111.34 12.38 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 177.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -109.55 142.84 40.06 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.5 m -115.59 129.83 56.65 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 170.32 -44.8 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.433 1.093 . . . . 0.0 109.503 178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 . . . . . 0 N--CA 1.435 -1.197 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.937 -169.734 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.551 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.6 pt -63.87 142.15 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-O 121.476 0.655 . . . . 0.0 111.867 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 m -143.24 154.33 43.72 Favored 'General case' 0 C--N 1.287 -2.129 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 64.8 m -128.94 93.95 3.72 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-O 121.613 0.721 . . . . 0.0 109.96 173.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.76 -30.92 11.45 Favored 'General case' 0 C--N 1.279 -2.485 0 N-CA-C 105.593 -2.002 . . . . 0.0 105.593 172.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 85.7 mt -117.32 155.15 30.03 Favored 'General case' 0 N--CA 1.402 -2.837 0 CA-C-N 113.545 -1.661 . . . . 0.0 107.891 175.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.6 mt -113.08 129.82 68.07 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 175.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.471 ' HA2' ' HB2' ' A' ' 26' ' ' TRP . . . 80.62 -54.93 4.67 Favored Glycine 0 C--N 1.303 -1.299 0 C-N-CA 120.953 -0.641 . . . . 0.0 112.869 -176.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -90.02 21.09 3.84 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 125.838 1.655 . . . . 0.0 109.099 -172.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 14' ' ' VAL . 9.4 tp10 -85.3 85.45 7.45 Favored 'General case' 0 N--CA 1.382 -3.84 0 CA-C-N 114.486 -1.234 . . . . 0.0 113.502 -168.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -53.63 -29.48 38.26 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 112.909 -1.951 . . . . 0.0 113.182 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.59 -20.0 61.38 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.54 0.686 . . . . 0.0 110.334 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 t -87.86 -44.58 10.97 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 173.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 10' ' ' GLU . 47.8 t -54.63 -39.15 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.644 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.8 -30.47 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -69.58 -39.15 77.5 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.694 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 35.2 m -70.42 -39.36 74.48 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-N 114.157 -1.383 . . . . 0.0 110.313 179.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 95.5 mt -66.43 -32.02 73.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.597 0.237 . . . . 0.0 110.365 178.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.79 -44.08 64.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.54 176.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -70.57 -23.39 62.59 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.27 46.41 1.71 Allowed Glycine 0 C--N 1.309 -0.96 0 C-N-CA 120.466 -0.873 . . . . 0.0 111.727 178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' CG ' ' HB3' ' A' ' 35' ' ' CYS . 32.5 m-85 -107.07 164.07 12.46 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 123.028 0.531 . . . . 0.0 111.074 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.61 -19.68 62.09 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.071 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.93 -174.77 37.59 Favored Glycine 0 N--CA 1.418 -2.538 0 C-N-CA 120.198 -1.001 . . . . 0.0 111.314 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.694 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -150.91 170.06 30.68 Favored Glycine 0 N--CA 1.412 -2.954 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -177.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.471 ' HB2' ' HA2' ' A' ' 8' ' ' GLY . 4.2 p90 -163.48 143.59 8.71 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.422 ' SG ' ' HA ' ' A' ' 31' ' ' LYS . 45.1 t -90.2 128.36 36.35 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 106.804 -1.554 . . . . 0.0 106.804 174.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.405 ' OD1' ' HB ' ' A' ' 32' ' ' VAL . 2.1 p30 -92.09 -175.45 4.08 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.585 -176.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.5 p -65.01 -19.98 66.27 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -175.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -82.75 -2.98 55.86 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 122.186 -0.321 . . . . 0.0 110.341 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 35.3 mmtp 73.15 29.56 1.72 Allowed 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.612 1.165 . . . . 0.0 110.497 -177.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.405 ' HB ' ' OD1' ' A' ' 28' ' ' ASP . 57.3 t -102.08 132.95 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.217 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.217 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 52.0 t -78.73 118.92 21.26 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 175.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -118.8 141.93 48.18 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.412 ' HB3' ' CG ' ' A' ' 22' ' ' PHE . 84.1 m -115.66 128.04 55.62 Favored 'General case' 0 C--N 1.294 -1.806 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 177.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' N ' ' HZ3' ' A' ' 26' ' ' TRP . 39.9 ttm180 174.01 -48.2 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.83 0.852 . . . . 0.0 109.634 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.487 -173.817 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.219 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.693 ' HB ' ' SG ' ' A' ' 33' ' ' CYS . 15.6 pt -74.45 117.33 18.34 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.365 0 CA-C-O 121.898 0.856 . . . . 0.0 112.116 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.0 m -144.25 139.83 28.88 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.489 ' HA ' ' HG2' ' A' ' 10' ' ' GLU . 62.7 m -114.85 110.14 19.22 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -176.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -99.84 -37.79 8.91 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 171.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.2 mt -108.98 159.82 16.52 Favored 'General case' 0 N--CA 1.419 -2.012 0 CA-C-N 114.434 -1.257 . . . . 0.0 110.379 175.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.487 HD13 ' HA ' ' A' ' 29' ' ' SER . 95.8 mt -105.46 120.66 56.55 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 CA-C-N 114.462 -1.245 . . . . 0.0 107.64 176.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.98 -38.09 1.52 Allowed Glycine 0 CA--C 1.536 1.363 0 N-CA-C 114.54 0.576 . . . . 0.0 114.54 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -94.0 7.59 44.51 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 122.011 0.91 . . . . 0.0 110.483 -174.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 14' ' ' VAL . 15.1 tp10 -84.44 77.29 10.04 Favored 'General case' 0 N--CA 1.407 -2.614 0 CA-C-N 114.631 -1.168 . . . . 0.0 109.981 -175.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.41 -29.89 66.43 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 113.794 -1.548 . . . . 0.0 113.567 -177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.06 -21.64 66.38 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.318 0.58 . . . . 0.0 110.531 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 t -87.79 -49.47 7.09 Favored 'General case' 0 N--CA 1.428 -1.535 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.185 173.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 10' ' ' GLU . 42.0 t -54.89 -39.34 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.455 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.15 -29.81 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.149 0.579 . . . . 0.0 111.876 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -64.7 -41.93 95.67 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.763 ' SG ' ' HA3' ' A' ' 25' ' ' GLY . 39.3 m -72.11 -39.14 69.08 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.895 179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 14' ' ' VAL . 75.6 mt -67.47 -31.43 71.58 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.24 -43.19 61.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.434 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -64.1 -29.15 70.3 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 177.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.55 54.36 0.69 Allowed Glycine 0 CA--C 1.493 -1.341 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -115.95 157.0 25.23 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 114.805 -0.698 . . . . 0.0 110.812 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -73.84 -14.02 61.02 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 123.976 0.798 . . . . 0.0 108.946 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.4 154.39 7.43 Favored Glycine 0 N--CA 1.409 -3.161 0 C-N-CA 120.085 -1.055 . . . . 0.0 112.692 175.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.763 ' HA3' ' SG ' ' A' ' 17' ' ' CYS . . . -131.12 162.15 23.57 Favored Glycine 0 N--CA 1.412 -2.905 0 N-CA-C 108.639 -1.784 . . . . 0.0 108.639 178.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.536 ' CH2' ' HG2' ' A' ' 37' ' ' ARG . 5.7 p90 -162.22 149.02 13.53 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 117.65 0.725 . . . . 0.0 110.729 -176.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 89.6 m -87.36 122.07 30.64 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 106.784 -1.561 . . . . 0.0 106.784 169.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -87.46 -178.54 6.17 Favored 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 119.635 -0.826 . . . . 0.0 108.787 178.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 7' ' ' ILE . 20.4 t -58.37 -24.36 59.65 Favored 'General case' 0 CA--C 1.562 1.411 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -82.69 2.91 31.29 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.922 -0.486 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 70.4 24.52 4.63 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 124.65 1.18 . . . . 0.0 110.597 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 27' ' ' CYS . 62.0 t -97.47 136.77 27.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.422 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.693 ' SG ' ' HB ' ' A' ' 2' ' ' ILE . 19.7 m -86.87 112.09 21.41 Favored 'General case' 0 N--CA 1.428 -1.557 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.709 175.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -115.6 138.28 51.22 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 36' ' ' ARG . 52.2 m -115.82 118.24 32.46 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 40.3 ttm180 173.97 -12.81 0.0 OUTLIER 'General case' 0 C--N 1.358 0.959 0 O-C-N 123.491 0.494 . . . . 0.0 112.035 -176.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 26.2 mmm180 . . . . . 0 CA--C 1.5 -0.943 0 C-N-CA 120.073 -0.651 . . . . 0.0 111.024 -178.118 . . . . . . . . 1 1 . 1 stop_ save_