data_6kra_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 6kra _Structure_validation_residue.Date_analyzed 2020-08-21 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' ' ' ARG . . . . . 0.472 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 34.8 tpt85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.429 0.157 . . . . 75.12 111.225 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.2 m -154.16 121.48 5.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 72.33 110.827 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.75 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 2.3 m -98.87 138.21 36.33 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.774 -0.825 . . . . 51.34 108.774 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -162.81 151.34 14.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.41 0.624 . . . . 74.33 112.06 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -78.75 122.33 25.88 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.092 -0.958 . . . . 74.33 110.753 173.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -127.74 147.87 50.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.055 0.455 . . . . 72.43 111.926 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -76.16 128.38 34.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.855 -0.611 . . . . 73.01 110.268 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.02 -161.06 21.64 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.335 -0.706 . . . . 74.42 111.335 -176.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -91.59 166.56 12.76 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.885 -0.326 . . . . 73.15 110.189 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 40.5 m -100.27 -179.25 4.07 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.061 0.457 . . . . 75.53 111.24 -174.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.558 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 48.9 t80 -84.06 151.26 25.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.701 -0.851 . . . . 71.5 108.701 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -58.57 -30.27 67.03 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.188 0.44 . . . . 74.4 112.188 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -84.12 -9.54 58.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.591 0.234 . . . . 65.31 111.551 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.865 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 61.2 mt-10 -85.14 118.46 24.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.772 -0.455 . . . . 71.41 109.772 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -75.59 121.68 22.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.378 -0.374 . . . . 70.2 110.774 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.46 107.62 2.11 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.619 -0.511 . . . . 74.12 109.619 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.606 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 13.3 m -82.98 -43.34 16.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.831 -0.622 . . . . 71.22 111.06 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' LEU . . . 179.66 -154.08 13.15 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.667 -0.778 . . . . 73.4 112.237 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.502 ' HB3' HD12 ' A' ' 27' ' ' ILE . 15.8 m -121.78 128.16 51.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 60.31 110.848 -175.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 60.8 m -108.77 128.05 54.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.932 -0.576 . . . . 70.54 110.83 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -122.93 110.96 16.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.361 0.601 . . . . 72.54 110.599 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.73 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 75.4 mt -121.24 121.14 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.802 -0.635 . . . . 73.54 110.323 -177.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 66.71 15.3 10.09 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.801 -0.636 . . . . 74.43 111.743 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.75 4.98 51.62 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.631 -0.795 . . . . 72.42 113.291 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -124.52 136.72 54.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.092 0.446 . . . . 73.32 110.069 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.502 HD12 ' HB3' ' A' ' 20' ' ' SER . 13.9 tt -94.97 123.46 47.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.735 0.779 . . . . 70.31 112.066 -174.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.73 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 40.1 m-85 -105.51 144.76 31.82 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.108 -0.951 . . . . 75.52 108.933 174.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -74.31 119.01 17.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.78 0.324 . . . . 74.41 110.401 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.606 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 49.1 tp -86.19 101.71 13.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 72.1 109.929 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.3 m -124.29 151.36 44.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.259 -0.428 . . . . 61.03 110.185 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.75 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 8.6 t -118.92 114.91 23.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.02 0.438 . . . . 74.1 110.274 -176.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.865 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 9.2 ptm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 115.353 -0.84 . . . . 74.11 109.777 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.475 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 2.3 tpm_? . . . . . 0 CA--C 1.52 -0.191 0 N-CA-C 108.709 -0.848 . . . . 75.23 108.709 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -130.8 95.86 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.613 -0.721 . . . . 64.51 109.158 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 m -110.57 137.32 48.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.537 -0.302 . . . . 75.15 111.686 -170.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -171.31 150.87 2.98 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.004 -0.544 . . . . 75.23 110.211 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.753 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -79.3 128.42 33.3 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.988 -0.551 . . . . 63.34 111.008 179.567 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -124.12 147.41 47.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.825 0.345 . . . . 75.42 111.178 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -71.55 150.46 44.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.208 -0.451 . . . . 71.23 111.235 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.36 -155.15 53.42 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.796 -0.638 . . . . 60.44 112.58 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -72.85 159.02 34.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 71.34 110.296 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.9 m -99.6 168.34 10.01 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.798 -0.445 . . . . 62.22 109.798 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -78.77 154.88 29.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.766 -0.827 . . . . 72.21 108.766 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -65.64 -14.15 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.362 0.504 . . . . 73.42 112.362 -172.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -86.61 -14.34 43.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.953 0.406 . . . . 75.13 111.024 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG2' ' HD2' ' A' ' 33' ' ' ARG . 30.4 mt-10 -93.76 120.55 34.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.673 -173.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -74.15 129.87 38.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.248 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -74.69 106.84 6.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.951 -0.388 . . . . 64.32 109.951 -177.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.662 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 16.6 m -83.12 -55.7 4.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.246 -0.434 . . . . 64.51 110.613 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.96 -134.77 2.12 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.86 -0.609 . . . . 60.23 111.864 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.9 p -141.1 148.32 39.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.09 0.445 . . . . 61.34 111.143 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.2 m -120.26 128.59 53.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.305 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -98.99 100.78 12.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.074 0.464 . . . . 73.15 110.347 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.512 ' HB ' ' CE1' ' A' ' 28' ' ' PHE . 57.5 mt -130.28 132.44 64.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.402 -0.592 . . . . 62.44 109.402 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 67.48 9.86 7.33 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.608 0.718 . . . . 74.33 110.759 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.73 9.27 78.49 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.707 -0.758 . . . . 72.14 111.642 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 26' ' ' ARG . 33.9 mtp85 -110.77 139.3 46.19 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.575 -0.528 . . . . 74.31 109.575 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 27' ' ' ILE . 11.0 tt -92.86 100.58 11.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 122.004 0.907 . . . . 63.15 110.732 -177.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 23' ' ' ILE . 94.0 m-85 -87.53 116.3 25.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.47 -0.786 . . . . 73.13 109.776 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -59.82 111.56 1.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.911 0.386 . . . . 71.31 110.125 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.753 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 58.7 tp -73.82 102.79 4.14 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.36 -0.607 . . . . 72.54 109.36 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.4 m -124.82 136.52 53.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.209 -0.45 . . . . 72.35 109.919 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.0 t -123.54 131.73 53.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.11 -0.496 . . . . 75.12 110.416 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD2' ' HG2' ' A' ' 15' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.871 0 N-CA-C 108.831 -0.803 . . . . 72.34 108.831 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.66 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.79 0.328 . . . . 74.52 110.662 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 m -123.74 103.98 8.71 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.032 -0.358 . . . . 75.31 110.032 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 4.1 m -99.17 135.48 40.52 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.534 -0.466 . . . . 73.22 109.831 -177.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -171.22 149.21 2.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.6 -0.518 . . . . 74.32 109.6 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -85.84 126.78 34.3 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.789 0.328 . . . . 73.0 111.562 -178.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -117.28 139.71 50.47 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.649 0.261 . . . . 74.21 110.474 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.424 ' N ' ' HD1' ' A' ' 28' ' ' PHE . 75.6 t80 -79.06 113.64 17.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.434 . . . . 72.15 110.275 -177.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.32 -140.07 12.04 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.417 -0.673 . . . . 54.24 111.417 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -101.08 169.51 8.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.875 0.369 . . . . 72.14 110.79 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.423 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 79.3 m -127.45 174.1 9.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 74.31 109.708 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -94.19 165.13 12.76 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.077 -0.712 . . . . 70.54 109.077 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -73.92 -22.51 59.65 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.543 -0.463 . . . . 75.41 111.282 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -62.32 -38.82 90.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.304 0.573 . . . . 75.21 109.979 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.643 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 4.2 pt-20 -92.93 112.8 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.739 -0.664 . . . . 64.22 109.748 177.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.8 m -79.02 128.12 32.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.829 -0.623 . . . . 71.3 111.14 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.457 ' HE1' ' HB3' ' A' ' 29' ' ' SER . 78.3 t80 -69.5 106.29 2.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 75.34 109.585 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.413 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 14.8 m -83.65 -42.0 17.15 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 70.41 110.915 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.75 -154.84 14.26 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.913 -0.66 . . . . 54.34 112.091 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -114.83 153.41 30.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.852 0.358 . . . . 64.41 111.094 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 30' ' ' LEU . 86.1 m -133.62 113.66 12.64 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.276 0.472 . . . . 64.13 112.276 -176.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -85.51 102.24 13.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.475 -0.565 . . . . 74.54 109.475 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.635 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 57.0 mt -132.09 107.52 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.962 0.41 . . . . 64.5 111.145 -176.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.8 m120 53.48 58.99 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.252 -0.885 . . . . 73.25 112.37 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.09 -9.89 62.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.907 -0.663 . . . . 65.43 113.801 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -119.35 142.57 48.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.454 0.627 . . . . 74.25 110.337 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -100.87 99.44 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-O 122.125 0.964 . . . . 71.44 110.01 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.635 ' CE2' ' HB ' ' A' ' 23' ' ' ILE . 81.5 m-85 -85.64 159.59 19.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.081 -0.963 . . . . 75.41 111.371 -174.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.457 ' HB3' ' HE1' ' A' ' 17' ' ' TYR . 7.0 m -96.69 113.84 25.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.712 -0.677 . . . . 75.34 109.646 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 46.5 tp -72.92 105.05 4.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.84 0.352 . . . . 73.14 110.427 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.3 m -128.08 142.37 51.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.154 -0.476 . . . . 72.32 110.003 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 47.5 t -130.24 111.81 12.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.488 -0.324 . . . . 74.12 110.797 -174.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.649 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.815 -0.612 . . . . 73.04 109.708 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.607 0.241 . . . . 74.41 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -133.82 105.14 6.63 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.805 -0.443 . . . . 63.31 109.805 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.2 m -101.61 138.42 38.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.37 -0.377 . . . . 73.42 110.624 -174.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 -167.9 152.31 6.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 64.33 110.538 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.929 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.39 116.93 19.15 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.905 -0.589 . . . . 72.34 110.226 176.178 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -112.53 161.11 17.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 71.54 111.245 -176.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.498 ' HA ' ' HD2' ' A' ' 28' ' ' PHE . 55.4 t80 -69.39 110.91 4.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.803 -0.635 . . . . 72.04 112.113 -174.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.52 -108.73 2.62 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.795 -0.639 . . . . 72.43 114.588 168.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -90.45 133.22 35.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.949 0.404 . . . . 74.14 111.992 -169.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 81.2 m -103.46 156.71 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 64.33 109.952 174.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -75.51 164.75 26.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.685 0.279 . . . . 63.2 110.274 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -63.46 -22.33 66.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.346 -0.388 . . . . 75.33 111.966 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -100.51 6.5 44.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.138 0.422 . . . . 73.33 112.138 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.864 ' HG2' ' HG3' ' A' ' 33' ' ' ARG . 43.7 mt-10 -93.95 113.39 25.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.184 -0.673 . . . . 71.33 109.184 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.575 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.5 p -71.94 122.31 20.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.526 . . . . 65.4 111.049 -175.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CE1' ' HB3' ' A' ' 29' ' ' SER . 24.3 t80 -82.74 106.62 14.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.204 -0.453 . . . . 72.44 109.959 -176.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.545 ' HB2' HD22 ' A' ' 30' ' ' LEU . 18.7 m -82.78 -48.46 10.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.31 0.576 . . . . 75.52 110.445 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.93 -136.56 2.78 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.488 -0.778 . . . . 70.01 111.499 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -147.6 143.01 27.42 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.776 0.322 . . . . 73.21 110.361 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.7 m -119.26 114.42 22.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.353 -0.385 . . . . 73.51 110.809 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 11.0 t30 -85.78 98.53 10.78 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.164 -0.68 . . . . 72.21 109.164 174.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -112.35 112.76 41.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.991 -0.55 . . . . 74.41 110.708 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 60.05 31.5 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 55.2 111.309 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.48 -21.4 41.14 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.758 -0.734 . . . . 70.03 113.083 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -104.82 127.37 52.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.04 0.42 . . . . 73.3 110.376 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' ASN . 15.6 tt -94.67 124.01 47.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.373 0.606 . . . . 65.21 110.151 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 62.2 m-85 -112.93 138.9 49.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.844 -0.616 . . . . 74.14 110.11 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.487 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 15.1 m -73.26 116.47 13.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.498 -0.319 . . . . 74.32 110.427 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.929 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 2.6 tt -74.18 109.44 7.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.624 -0.509 . . . . 63.32 109.624 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.593 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 71.2 m -130.84 137.75 49.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.991 0.424 . . . . 72.03 110.328 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 12.9 t -107.91 126.17 52.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.548 -176.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.864 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.243 0.755 0 CA-C-N 115.848 -0.615 . . . . 73.24 110.187 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.923 0.392 . . . . 72.5 110.622 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.9 m -133.48 119.02 19.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.829 0.347 . . . . 74.21 110.229 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 5.2 m -97.76 136.92 37.41 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.683 -0.858 . . . . 70.12 108.683 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -160.99 150.3 16.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.386 0.612 . . . . 75.3 111.369 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -78.45 120.92 23.86 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.098 -0.955 . . . . 72.25 110.787 173.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -128.08 152.2 48.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.72 0.295 . . . . 65.42 110.645 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.542 ' HB3' ' CD1' ' A' ' 28' ' ' PHE . 44.3 p90 -94.05 159.98 14.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.285 -0.416 . . . . 73.1 110.732 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.43 -117.5 4.65 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.739 -0.664 . . . . 54.33 112.396 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -112.67 146.27 38.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.445 0.164 . . . . 74.42 110.945 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -99.99 167.65 10.35 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.128 -0.693 . . . . 55.11 109.128 171.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.35 150.85 25.1 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.247 -0.649 . . . . 73.33 109.247 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -63.12 -18.73 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.491 . . . . 73.22 111.214 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -88.06 -6.7 57.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.901 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.627 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 52.2 mt-10 -91.44 114.16 26.62 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.759 -0.46 . . . . 75.25 109.759 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.7 m -68.0 119.5 12.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.339 -0.391 . . . . 62.32 110.541 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -78.51 106.63 10.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.268 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.621 ' HB2' HD22 ' A' ' 30' ' ' LEU . 54.1 m -83.83 -50.04 8.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.055 -0.521 . . . . 72.04 111.253 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.0 -135.73 1.98 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.875 -0.678 . . . . 44.44 112.106 -176.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.2 p -153.59 134.5 13.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.913 0.387 . . . . 72.2 111.187 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 65.9 m -101.25 154.3 18.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.067 -0.515 . . . . 72.41 110.127 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -127.8 105.48 8.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.844 -0.428 . . . . 63.4 109.844 174.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 64.4 mt -102.23 97.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.053 -0.521 . . . . 73.43 110.442 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 58.98 39.0 24.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.35 -0.841 . . . . 52.14 111.638 173.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.23 -19.74 26.74 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.427 -0.892 . . . . 64.11 113.246 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -102.64 136.56 42.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.018 0.409 . . . . 65.41 110.355 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.7 tt -102.75 124.83 57.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.445 0.64 . . . . 73.35 110.755 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 8' ' ' PHE . 56.2 m-85 -116.54 126.32 53.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.202 -0.666 . . . . 73.3 109.202 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 p -66.85 128.39 36.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.943 0.401 . . . . 75.21 110.344 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.621 HD22 ' HB2' ' A' ' 18' ' ' SER . 4.5 tt -83.99 99.52 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.143 -0.688 . . . . 65.1 109.143 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.558 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 86.3 m -115.49 141.27 48.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.577 -0.738 . . . . 64.24 109.449 -178.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 12.9 t -119.07 104.49 10.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.397 -0.365 . . . . 73.32 110.909 -171.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.627 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.727 -0.654 . . . . 75.33 110.369 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.961 0.41 . . . . 70.42 110.286 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.9 m -134.67 97.58 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.557 -0.534 . . . . 72.51 109.557 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 2.7 m -99.44 137.07 38.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 73.52 110.248 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -171.25 156.31 4.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 73.11 110.125 172.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.696 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.65 120.72 23.72 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 116.117 -0.492 . . . . 54.03 110.409 174.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -120.0 152.51 37.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 75.45 110.36 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.434 ' HB3' ' CD1' ' A' ' 28' ' ' PHE . 37.3 p90 -84.75 131.65 34.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.038 0.447 . . . . 74.5 110.613 -178.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.29 -124.88 6.91 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.922 -0.656 . . . . 73.13 112.446 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -112.17 164.93 12.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.332 -0.247 . . . . 74.31 110.332 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' HD2' ' A' ' 17' ' ' TYR . 56.9 m -99.54 128.94 45.67 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.245 -1.02 . . . . 53.33 108.245 169.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.27 165.96 21.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.881 0.372 . . . . 73.54 110.976 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -58.77 -25.8 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.925 -0.58 . . . . 74.24 112.44 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -93.49 -0.93 56.18 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.746 -0.381 . . . . 72.1 110.828 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.949 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 52.4 mt-10 -106.84 118.08 35.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.523 -0.308 . . . . 70.12 110.328 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 11.2 p -76.85 135.34 38.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.304 -0.407 . . . . 75.44 110.572 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.46 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 68.0 t80 -86.29 105.94 17.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.016 0.436 . . . . 74.02 109.923 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.483 ' HB2' HD23 ' A' ' 30' ' ' LEU . 25.0 m -84.27 -46.54 11.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.977 -0.556 . . . . 74.15 110.672 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.5 -129.67 1.39 Allowed Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.804 -0.634 . . . . 70.04 111.914 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -152.72 161.27 42.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.63 0.252 . . . . 51.13 111.073 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.7 m -139.09 116.84 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 74.25 110.847 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -87.85 103.27 15.5 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.958 -0.756 . . . . 75.11 108.958 173.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.678 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 65.6 mt -127.05 112.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.499 -0.319 . . . . 61.13 110.742 -174.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 m120 58.54 55.24 4.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.703 -0.681 . . . . 74.12 112.06 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 14.0 74.71 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.62 -0.718 . . . . 72.32 113.281 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -133.73 128.08 34.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.842 0.353 . . . . 73.12 110.641 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -96.0 110.96 25.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.843 0.83 . . . . 73.31 110.546 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.678 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 49.9 m-85 -100.7 151.63 21.43 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.266 -0.879 . . . . 73.54 109.85 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -93.77 130.47 39.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.296 -0.631 . . . . 74.13 109.296 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.696 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 2.8 tt -80.72 102.6 10.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.59 -0.522 . . . . 72.41 109.59 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' SER . 1.8 m -117.06 135.05 54.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.401 -0.592 . . . . 72.14 109.401 -178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 49.9 t -117.6 105.8 12.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.257 0.551 . . . . 75.22 110.515 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.949 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 7.5 ptm180 . . . . . 0 C--O 1.252 1.192 0 CA-C-N 115.414 -0.812 . . . . 75.45 109.872 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.563 ' HG2' ' OXT' ' A' ' 33' ' ' ARG . 7.1 ptp180 . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.595 -0.52 . . . . 74.41 109.595 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 m -147.37 118.67 7.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 75.44 110.283 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.78 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 9.8 m -99.24 138.69 35.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.684 -0.235 . . . . 73.33 110.783 -173.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -165.73 150.11 8.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.052 0.453 . . . . 75.53 111.096 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.88 130.13 35.32 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.83 -0.623 . . . . 63.14 110.792 173.154 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.587 ' HD3' ' HB3' ' A' ' 11' ' ' CYS . 15.9 ptm180 -132.33 139.8 48.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.651 0.262 . . . . 75.24 110.949 177.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -65.44 153.78 40.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.925 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.52 -142.27 30.98 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.186 -0.766 . . . . 74.11 111.186 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -111.04 160.85 16.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.985 0.421 . . . . 73.31 110.143 173.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.587 ' HB3' ' HD3' ' A' ' 7' ' ' ARG . 7.4 p -98.77 -179.44 4.29 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.684 -0.689 . . . . 64.02 110.157 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.562 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 36.2 m-85 -76.83 153.55 34.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.751 -0.463 . . . . 71.31 109.751 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -77.15 1.97 16.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 74.01 110.931 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -100.68 -3.02 31.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.88 -0.6 . . . . 75.24 110.243 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.562 ' HG3' ' HB2' ' A' ' 12' ' ' PHE . 41.3 mt-10 -101.54 143.15 31.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.799 -0.637 . . . . 72.52 109.579 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -84.99 118.71 24.73 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.237 -0.185 . . . . 70.41 110.806 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -73.09 106.83 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.957 0.408 . . . . 75.32 109.991 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.772 ' HB2' HD22 ' A' ' 30' ' ' LEU . 16.5 m -84.14 -44.52 13.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.838 -0.619 . . . . 74.11 111.31 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.89 -149.18 8.7 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.828 -0.701 . . . . 64.33 111.866 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 m -133.62 133.79 42.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.67 0.271 . . . . 72.35 110.709 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 84.1 m -105.59 141.48 36.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.357 -0.383 . . . . 73.43 110.948 176.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -120.25 101.73 8.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.859 -0.793 . . . . 64.33 108.859 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -122.08 123.79 69.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.851 -0.613 . . . . 71.32 110.111 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.92 26.97 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 73.43 111.027 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.97 13.08 83.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.089 -0.577 . . . . 74.55 112.215 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 26' ' ' ARG . 54.7 mtt-85 -119.43 127.71 53.35 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.252 -0.648 . . . . 74.15 109.252 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -80.41 129.89 36.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.363 0.602 . . . . 61.11 110.914 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -128.0 114.39 17.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.548 -0.751 . . . . 75.53 109.41 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.1 p -58.42 123.05 14.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.754 0.311 . . . . 71.41 110.194 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.772 HD22 ' HB2' ' A' ' 18' ' ' SER . 2.4 tt -85.49 99.58 11.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.799 -0.815 . . . . 61.3 108.799 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.3 m -118.82 123.42 44.72 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.228 0.537 . . . . 73.12 109.741 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.78 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 11.0 t -90.61 104.54 17.11 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.588 -0.733 . . . . 73.1 109.505 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' OXT' ' HG2' ' A' ' 2' ' ' ARG . 23.7 mtp180 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.132 -0.94 . . . . 74.21 109.945 -175.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.947 0.403 . . . . 74.42 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -117.23 109.15 16.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.538 -0.541 . . . . 64.21 109.538 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 1.9 m -113.43 137.52 51.41 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.791 -0.364 . . . . 72.53 111.164 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -171.73 157.01 4.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 75.01 110.397 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.87 126.3 30.52 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 116.378 -0.374 . . . . 71.24 110.104 172.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -120.41 146.4 46.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.346 . . . . 75.3 111.232 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -62.01 131.22 48.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.245 0.545 . . . . 75.21 111.421 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.09 -130.31 9.69 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.785 -0.721 . . . . 71.31 112.254 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.0 171.75 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.709 0.29 . . . . 73.01 110.741 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.9 m -110.4 179.32 4.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.347 -0.388 . . . . 74.04 110.572 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -93.4 165.61 12.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.582 -0.281 . . . . 74.24 110.283 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -80.22 6.16 12.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.838 0.351 . . . . 65.23 111.617 -173.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 14' ' ' ARG . 18.9 mtm180 -100.44 -3.92 29.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.108 0.48 . . . . 75.43 109.837 174.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.854 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 36.8 mt-10 -105.46 150.7 25.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.753 -0.658 . . . . 62.25 110.009 -177.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -99.29 138.01 36.99 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.672 -0.492 . . . . 73.01 109.672 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -82.05 108.52 15.6 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.538 -0.542 . . . . 75.11 109.538 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.825 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 4.8 m -81.69 -48.92 11.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.996 -0.547 . . . . 65.04 110.504 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.68 -148.15 7.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.876 -0.678 . . . . 55.35 111.931 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.2 p -134.1 142.35 47.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.02 0.438 . . . . 75.14 111.412 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.8 m -125.28 109.75 13.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 74.52 110.477 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -97.7 100.83 12.23 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.037 0.446 . . . . 73.41 110.171 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.6 mt -130.93 139.54 50.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.839 -0.618 . . . . 74.2 109.967 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 67.26 10.94 8.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.598 0.713 . . . . 71.34 110.435 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.87 9.47 74.23 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.943 -0.646 . . . . 75.53 112.032 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -118.11 133.52 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.024 -0.732 . . . . 74.14 109.024 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tt -84.88 110.02 18.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.87 0.843 . . . . 74.02 110.643 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -100.16 112.35 24.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.216 -0.902 . . . . 72.54 109.572 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 m -69.76 119.6 14.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.963 0.411 . . . . 73.44 110.035 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.825 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 60.3 tp -76.77 106.76 8.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.908 -0.587 . . . . 65.31 109.56 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.2 m -129.53 163.95 24.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.222 -0.444 . . . . 74.12 109.924 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 33.2 t -143.45 124.39 14.33 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.923 -0.399 . . . . 64.15 109.923 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.854 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.687 0 N-CA-C 109.046 -0.724 . . . . 71.42 109.046 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.781 0.324 . . . . 75.34 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -107.43 90.15 3.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.323 -0.621 . . . . 74.35 109.323 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.7 m -104.68 138.15 41.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.282 -0.417 . . . . 71.14 111.572 -171.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 ptm85 -171.16 155.71 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.737 -0.665 . . . . 75.45 109.859 169.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.681 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -77.89 129.39 35.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.94 -0.573 . . . . 74.53 110.863 -178.493 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -116.86 150.52 38.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.043 0.449 . . . . 74.14 111.352 -174.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.442 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 35.7 p90 -86.96 136.59 32.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.881 -0.6 . . . . 74.21 110.911 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.47 -98.54 2.0 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.863 -0.684 . . . . 63.54 112.903 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -111.57 162.51 15.06 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.136 0.493 . . . . 75.43 111.255 -176.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -121.79 172.17 8.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.449 -0.796 . . . . 74.44 108.901 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.705 ' HE1' ' HD3' ' A' ' 14' ' ' ARG . 8.0 t80 -85.12 147.3 26.7 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.038 -0.727 . . . . 74.31 109.038 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.76 -3.09 26.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.036 0.446 . . . . 75.55 111.747 -175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.705 ' HD3' ' HE1' ' A' ' 12' ' ' PHE . 38.4 mtp85 -96.44 -7.57 34.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.799 174.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 12' ' ' PHE . 40.8 mt-10 -82.02 135.09 35.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.688 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 m -80.38 133.87 35.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.892 -0.595 . . . . 74.25 109.506 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -87.93 106.93 18.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.077 0.465 . . . . 73.23 110.167 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.567 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 20.3 m -83.09 -50.89 8.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.849 -0.614 . . . . 73.4 110.917 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.26 -130.73 1.49 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.09 -0.576 . . . . 74.32 111.993 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 p -153.12 147.14 25.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.924 0.392 . . . . 75.41 111.574 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.83 109.22 14.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.54 . . . . 75.33 110.583 176.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -83.03 103.38 12.43 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.113 -0.699 . . . . 71.21 109.113 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.432 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 60.3 mt -113.77 110.16 31.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.343 -0.389 . . . . 74.42 110.714 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 64.05 23.64 13.3 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.75 -0.659 . . . . 75.23 111.91 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.69 -6.21 44.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.92 -0.657 . . . . 63.11 112.98 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.65 133.9 55.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.779 -0.452 . . . . 73.14 109.779 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.1 tt -93.03 110.53 23.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.765 0.793 . . . . 74.02 111.329 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 8' ' ' PHE . 16.2 m-85 -92.83 119.69 32.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.405 -0.816 . . . . 64.43 109.188 175.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 p -67.99 122.48 18.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.682 0.277 . . . . 73.42 110.303 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.681 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 56.5 tp -76.88 99.55 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.205 0.526 . . . . 74.43 110.202 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 57.7 m -118.59 168.51 10.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.307 -0.86 . . . . 74.04 109.722 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 39.7 t -153.16 120.55 5.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.581 -0.448 . . . . 75.44 111.887 -171.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? . . . . . 0 C--O 1.25 1.107 0 CA-C-O 119.052 -0.499 . . . . 72.21 110.026 176.731 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.403 -0.591 . . . . 74.4 109.403 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -120.32 100.82 7.39 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.157 -0.683 . . . . 74.3 109.157 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 32' ' ' CYS . 2.9 m -112.32 136.16 52.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.241 -0.436 . . . . 70.4 110.344 -174.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -172.44 158.47 4.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 73.34 110.381 171.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.59 126.05 30.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.296 -0.411 . . . . 74.05 110.293 175.017 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -111.49 143.11 42.86 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.894 0.378 . . . . 64.1 111.976 -174.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.457 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 58.9 t80 -81.76 101.28 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.059 0.457 . . . . 75.22 110.225 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.84 -139.45 10.92 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.183 -0.767 . . . . 73.3 111.183 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.1 154.32 25.61 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.927 -0.397 . . . . 73.33 109.927 176.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.9 m -98.53 162.93 12.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.733 0.302 . . . . 75.3 110.529 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -84.31 165.22 18.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.479 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -66.93 -29.6 69.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.74 0.305 . . . . 65.23 111.141 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -73.86 2.29 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.872 0.693 . . . . 75.41 112.872 -175.69 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.9 pt-20 -130.69 140.79 50.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.848 0.356 . . . . 74.54 110.113 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -83.2 142.52 31.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.539 -176.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -82.98 107.34 15.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.818 -0.628 . . . . 71.13 109.533 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.45 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 17.1 m -82.29 -46.81 13.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.63 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.66 -141.08 4.56 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.913 -0.585 . . . . 73.12 111.823 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 p -150.92 133.38 15.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.002 0.43 . . . . 72.35 111.168 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.3 m -99.11 123.71 43.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.929 -0.578 . . . . 74.43 110.135 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -98.08 84.87 3.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.251 0.548 . . . . 75.33 109.573 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 64.0 mt -100.51 120.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 74.33 110.879 -175.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 64.49 22.32 12.67 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.274 0.559 . . . . 73.14 111.311 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 18.64 59.49 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.826 -0.702 . . . . 73.2 112.073 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -122.89 149.66 43.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.541 -0.54 . . . . 74.41 109.541 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 tt -101.22 115.21 42.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.76 0.791 . . . . 73.45 111.659 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 8' ' ' PHE . 62.6 m-85 -109.65 116.24 31.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.281 -0.872 . . . . 71.51 108.814 174.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 p -69.33 116.88 10.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.845 0.355 . . . . 71.14 110.882 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 67.1 tp -73.71 107.99 6.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.277 -0.42 . . . . 72.25 110.192 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.9 m -132.92 160.79 36.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.769 -0.65 . . . . 74.34 110.26 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 48.1 t -157.17 142.63 17.37 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.922 -0.399 . . . . 73.15 109.922 -177.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.116 0 N-CA-C 109.056 -0.72 . . . . 70.1 109.056 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 121.805 0.812 . . . . 71.51 109.576 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.472 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 34.8 tpt85 -83.14 -36.68 24.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.872 -1.058 . . . . 75.12 111.225 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.2 m -154.16 121.48 5.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 72.33 110.827 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.75 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 2.3 m -98.87 138.21 36.33 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.774 -0.825 . . . . 51.34 108.774 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -162.81 151.34 14.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.41 0.624 . . . . 74.33 112.06 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -78.75 122.33 25.88 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.092 -0.958 . . . . 74.33 110.753 173.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -127.74 147.87 50.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.055 0.455 . . . . 72.43 111.926 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -76.16 128.38 34.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.855 -0.611 . . . . 73.01 110.268 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.02 -161.06 21.64 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.335 -0.706 . . . . 74.42 111.335 -176.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -91.59 166.56 12.76 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.885 -0.326 . . . . 73.15 110.189 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.455 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 40.5 m -100.27 -179.25 4.07 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.061 0.457 . . . . 75.53 111.24 -174.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.558 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 48.9 t80 -84.06 151.26 25.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.701 -0.851 . . . . 71.5 108.701 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -58.57 -30.27 67.03 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.188 0.44 . . . . 74.4 112.188 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -84.12 -9.54 58.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.591 0.234 . . . . 65.31 111.551 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.865 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 61.2 mt-10 -85.14 118.46 24.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.772 -0.455 . . . . 71.41 109.772 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -75.59 121.68 22.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.378 -0.374 . . . . 70.2 110.774 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.46 107.62 2.11 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.619 -0.511 . . . . 74.12 109.619 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.606 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 13.3 m -82.98 -43.34 16.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.831 -0.622 . . . . 71.22 111.06 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' LEU . . . 179.66 -154.08 13.15 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.667 -0.778 . . . . 73.4 112.237 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.502 ' HB3' HD12 ' A' ' 27' ' ' ILE . 15.8 m -121.78 128.16 51.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 60.31 110.848 -175.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 60.8 m -108.77 128.05 54.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.932 -0.576 . . . . 70.54 110.83 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -122.93 110.96 16.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.361 0.601 . . . . 72.54 110.599 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.73 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 75.4 mt -121.24 121.14 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.802 -0.635 . . . . 73.54 110.323 -177.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 66.71 15.3 10.09 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.801 -0.636 . . . . 74.43 111.743 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.75 4.98 51.62 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.631 -0.795 . . . . 72.42 113.291 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -124.52 136.72 54.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.092 0.446 . . . . 73.32 110.069 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.502 HD12 ' HB3' ' A' ' 20' ' ' SER . 13.9 tt -94.97 123.46 47.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.735 0.779 . . . . 70.31 112.066 -174.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.73 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 40.1 m-85 -105.51 144.76 31.82 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.108 -0.951 . . . . 75.52 108.933 174.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -74.31 119.01 17.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.78 0.324 . . . . 74.41 110.401 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.606 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 49.1 tp -86.19 101.71 13.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 72.1 109.929 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.3 m -124.29 151.36 44.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.259 -0.428 . . . . 61.03 110.185 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.75 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 8.6 t -118.92 114.91 23.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.02 0.438 . . . . 74.1 110.274 -176.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.865 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 9.2 ptm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 115.353 -0.84 . . . . 74.11 109.777 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.039 0.447 . . . . 72.12 109.934 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.475 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 2.3 tpm_? 176.52 -51.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.241 -0.891 . . . . 75.23 108.709 -176.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -130.8 95.86 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.613 -0.721 . . . . 64.51 109.158 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 m -110.57 137.32 48.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.537 -0.302 . . . . 75.15 111.686 -170.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -171.31 150.87 2.98 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.004 -0.544 . . . . 75.23 110.211 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.753 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -79.3 128.42 33.3 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.988 -0.551 . . . . 63.34 111.008 179.567 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -124.12 147.41 47.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.825 0.345 . . . . 75.42 111.178 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -71.55 150.46 44.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.208 -0.451 . . . . 71.23 111.235 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.36 -155.15 53.42 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.796 -0.638 . . . . 60.44 112.58 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -72.85 159.02 34.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 71.34 110.296 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.9 m -99.6 168.34 10.01 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.798 -0.445 . . . . 62.22 109.798 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -78.77 154.88 29.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.766 -0.827 . . . . 72.21 108.766 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -65.64 -14.15 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.362 0.504 . . . . 73.42 112.362 -172.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -86.61 -14.34 43.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.953 0.406 . . . . 75.13 111.024 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.487 ' HG2' ' HD2' ' A' ' 33' ' ' ARG . 30.4 mt-10 -93.76 120.55 34.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.673 -173.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -74.15 129.87 38.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.248 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -74.69 106.84 6.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.951 -0.388 . . . . 64.32 109.951 -177.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.662 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 16.6 m -83.12 -55.7 4.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.246 -0.434 . . . . 64.51 110.613 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.96 -134.77 2.12 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.86 -0.609 . . . . 60.23 111.864 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.9 p -141.1 148.32 39.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.09 0.445 . . . . 61.34 111.143 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.2 m -120.26 128.59 53.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.305 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -98.99 100.78 12.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.074 0.464 . . . . 73.15 110.347 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.512 ' HB ' ' CE1' ' A' ' 28' ' ' PHE . 57.5 mt -130.28 132.44 64.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.402 -0.592 . . . . 62.44 109.402 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 67.48 9.86 7.33 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.608 0.718 . . . . 74.33 110.759 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.73 9.27 78.49 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.707 -0.758 . . . . 72.14 111.642 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 26' ' ' ARG . 33.9 mtp85 -110.77 139.3 46.19 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.575 -0.528 . . . . 74.31 109.575 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 27' ' ' ILE . 11.0 tt -92.86 100.58 11.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 122.004 0.907 . . . . 63.15 110.732 -177.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 23' ' ' ILE . 94.0 m-85 -87.53 116.3 25.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.47 -0.786 . . . . 73.13 109.776 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -59.82 111.56 1.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.911 0.386 . . . . 71.31 110.125 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.753 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 58.7 tp -73.82 102.79 4.14 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.36 -0.607 . . . . 72.54 109.36 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.4 m -124.82 136.52 53.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.209 -0.45 . . . . 72.35 109.919 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 54.0 t -123.54 131.73 53.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.11 -0.496 . . . . 75.12 110.416 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' HD2' ' HG2' ' A' ' 15' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.871 0 N-CA-C 108.831 -0.803 . . . . 72.34 108.831 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.067 0.46 . . . . 74.41 110.211 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.66 ' HE ' ' HA ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER -120.95 -44.27 2.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.662 179.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 m -123.74 103.98 8.71 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.032 -0.358 . . . . 75.31 110.032 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 4.1 m -99.17 135.48 40.52 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.534 -0.466 . . . . 73.22 109.831 -177.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -171.22 149.21 2.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.6 -0.518 . . . . 74.32 109.6 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -85.84 126.78 34.3 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.789 0.328 . . . . 73.0 111.562 -178.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -117.28 139.71 50.47 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.649 0.261 . . . . 74.21 110.474 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.424 ' N ' ' HD1' ' A' ' 28' ' ' PHE . 75.6 t80 -79.06 113.64 17.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.434 . . . . 72.15 110.275 -177.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.32 -140.07 12.04 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.417 -0.673 . . . . 54.24 111.417 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -101.08 169.51 8.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.875 0.369 . . . . 72.14 110.79 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.423 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 79.3 m -127.45 174.1 9.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 74.31 109.708 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -94.19 165.13 12.76 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.077 -0.712 . . . . 70.54 109.077 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -73.92 -22.51 59.65 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.543 -0.463 . . . . 75.41 111.282 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -62.32 -38.82 90.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.304 0.573 . . . . 75.21 109.979 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.643 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 4.2 pt-20 -92.93 112.8 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.739 -0.664 . . . . 64.22 109.748 177.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.8 m -79.02 128.12 32.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.829 -0.623 . . . . 71.3 111.14 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.457 ' HE1' ' HB3' ' A' ' 29' ' ' SER . 78.3 t80 -69.5 106.29 2.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 75.34 109.585 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.413 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 14.8 m -83.65 -42.0 17.15 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 70.41 110.915 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.75 -154.84 14.26 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.913 -0.66 . . . . 54.34 112.091 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -114.83 153.41 30.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.852 0.358 . . . . 64.41 111.094 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 30' ' ' LEU . 86.1 m -133.62 113.66 12.64 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.276 0.472 . . . . 64.13 112.276 -176.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -85.51 102.24 13.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.475 -0.565 . . . . 74.54 109.475 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.635 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 57.0 mt -132.09 107.52 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.962 0.41 . . . . 64.5 111.145 -176.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.8 m120 53.48 58.99 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.252 -0.885 . . . . 73.25 112.37 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.09 -9.89 62.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.907 -0.663 . . . . 65.43 113.801 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -119.35 142.57 48.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.454 0.627 . . . . 74.25 110.337 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -100.87 99.44 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-O 122.125 0.964 . . . . 71.44 110.01 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.635 ' CE2' ' HB ' ' A' ' 23' ' ' ILE . 81.5 m-85 -85.64 159.59 19.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.081 -0.963 . . . . 75.41 111.371 -174.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.457 ' HB3' ' HE1' ' A' ' 17' ' ' TYR . 7.0 m -96.69 113.84 25.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.712 -0.677 . . . . 75.34 109.646 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 46.5 tp -72.92 105.05 4.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.84 0.352 . . . . 73.14 110.427 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.3 m -128.08 142.37 51.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.154 -0.476 . . . . 72.32 110.003 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 47.5 t -130.24 111.81 12.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.488 -0.324 . . . . 74.12 110.797 -174.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.649 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.815 -0.612 . . . . 73.04 109.708 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.775 0.321 . . . . 72.21 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -136.79 -21.5 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.076 -0.25 . . . . 74.41 111.187 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -133.82 105.14 6.63 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.805 -0.443 . . . . 63.31 109.805 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.2 m -101.61 138.42 38.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.37 -0.377 . . . . 73.42 110.624 -174.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 -167.9 152.31 6.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 64.33 110.538 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.929 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.39 116.93 19.15 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.905 -0.589 . . . . 72.34 110.226 176.178 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -112.53 161.11 17.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 71.54 111.245 -176.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.498 ' HA ' ' HD2' ' A' ' 28' ' ' PHE . 55.4 t80 -69.39 110.91 4.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.803 -0.635 . . . . 72.04 112.113 -174.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.52 -108.73 2.62 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.795 -0.639 . . . . 72.43 114.588 168.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -90.45 133.22 35.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.949 0.404 . . . . 74.14 111.992 -169.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 81.2 m -103.46 156.71 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 64.33 109.952 174.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -75.51 164.75 26.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.685 0.279 . . . . 63.2 110.274 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -63.46 -22.33 66.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.346 -0.388 . . . . 75.33 111.966 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -100.51 6.5 44.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.138 0.422 . . . . 73.33 112.138 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.864 ' HG2' ' HG3' ' A' ' 33' ' ' ARG . 43.7 mt-10 -93.95 113.39 25.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.184 -0.673 . . . . 71.33 109.184 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.575 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.5 p -71.94 122.31 20.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.526 . . . . 65.4 111.049 -175.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CE1' ' HB3' ' A' ' 29' ' ' SER . 24.3 t80 -82.74 106.62 14.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.204 -0.453 . . . . 72.44 109.959 -176.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.545 ' HB2' HD22 ' A' ' 30' ' ' LEU . 18.7 m -82.78 -48.46 10.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.31 0.576 . . . . 75.52 110.445 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.93 -136.56 2.78 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.488 -0.778 . . . . 70.01 111.499 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -147.6 143.01 27.42 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.776 0.322 . . . . 73.21 110.361 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.7 m -119.26 114.42 22.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.353 -0.385 . . . . 73.51 110.809 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 11.0 t30 -85.78 98.53 10.78 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.164 -0.68 . . . . 72.21 109.164 174.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -112.35 112.76 41.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.991 -0.55 . . . . 74.41 110.708 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 60.05 31.5 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 55.2 111.309 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.48 -21.4 41.14 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.758 -0.734 . . . . 70.03 113.083 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -104.82 127.37 52.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.04 0.42 . . . . 73.3 110.376 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' ASN . 15.6 tt -94.67 124.01 47.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.373 0.606 . . . . 65.21 110.151 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.498 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 62.2 m-85 -112.93 138.9 49.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.844 -0.616 . . . . 74.14 110.11 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.487 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 15.1 m -73.26 116.47 13.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.498 -0.319 . . . . 74.32 110.427 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.929 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 2.6 tt -74.18 109.44 7.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.624 -0.509 . . . . 63.32 109.624 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.593 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 71.2 m -130.84 137.75 49.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.991 0.424 . . . . 72.03 110.328 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.702 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 12.9 t -107.91 126.17 52.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.548 -176.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.864 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.243 0.755 0 CA-C-N 115.848 -0.615 . . . . 73.24 110.187 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.473 0.654 . . . . 73.3 109.857 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -81.78 -50.9 8.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 72.5 110.622 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.9 m -133.48 119.02 19.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.829 0.347 . . . . 74.21 110.229 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 5.2 m -97.76 136.92 37.41 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.683 -0.858 . . . . 70.12 108.683 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -160.99 150.3 16.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.386 0.612 . . . . 75.3 111.369 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -78.45 120.92 23.86 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.098 -0.955 . . . . 72.25 110.787 173.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -128.08 152.2 48.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.72 0.295 . . . . 65.42 110.645 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.542 ' HB3' ' CD1' ' A' ' 28' ' ' PHE . 44.3 p90 -94.05 159.98 14.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.285 -0.416 . . . . 73.1 110.732 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.43 -117.5 4.65 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.739 -0.664 . . . . 54.33 112.396 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -112.67 146.27 38.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.445 0.164 . . . . 74.42 110.945 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -99.99 167.65 10.35 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.128 -0.693 . . . . 55.11 109.128 171.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.35 150.85 25.1 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.247 -0.649 . . . . 73.33 109.247 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -63.12 -18.73 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.491 . . . . 73.22 111.214 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -88.06 -6.7 57.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.901 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.627 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 52.2 mt-10 -91.44 114.16 26.62 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.759 -0.46 . . . . 75.25 109.759 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.7 m -68.0 119.5 12.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.339 -0.391 . . . . 62.32 110.541 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -78.51 106.63 10.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.268 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.621 ' HB2' HD22 ' A' ' 30' ' ' LEU . 54.1 m -83.83 -50.04 8.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.055 -0.521 . . . . 72.04 111.253 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.0 -135.73 1.98 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.875 -0.678 . . . . 44.44 112.106 -176.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.2 p -153.59 134.5 13.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.913 0.387 . . . . 72.2 111.187 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 65.9 m -101.25 154.3 18.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.067 -0.515 . . . . 72.41 110.127 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -127.8 105.48 8.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.844 -0.428 . . . . 63.4 109.844 174.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 64.4 mt -102.23 97.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.053 -0.521 . . . . 73.43 110.442 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 58.98 39.0 24.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.35 -0.841 . . . . 52.14 111.638 173.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.23 -19.74 26.74 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.427 -0.892 . . . . 64.11 113.246 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -102.64 136.56 42.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.018 0.409 . . . . 65.41 110.355 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.7 tt -102.75 124.83 57.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.445 0.64 . . . . 73.35 110.755 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.542 ' CD1' ' HB3' ' A' ' 8' ' ' PHE . 56.2 m-85 -116.54 126.32 53.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.202 -0.666 . . . . 73.3 109.202 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 p -66.85 128.39 36.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.943 0.401 . . . . 75.21 110.344 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.621 HD22 ' HB2' ' A' ' 18' ' ' SER . 4.5 tt -83.99 99.52 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.143 -0.688 . . . . 65.1 109.143 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.558 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 86.3 m -115.49 141.27 48.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.577 -0.738 . . . . 64.24 109.449 -178.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 12.9 t -119.07 104.49 10.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.397 -0.365 . . . . 73.32 110.909 -171.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.627 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.727 -0.654 . . . . 75.33 110.369 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 1' ' ' ARG . 27.3 ptt85 . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 121.464 0.649 . . . . 75.02 111.014 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -142.56 -21.36 0.67 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.994 -0.548 . . . . 70.42 110.286 173.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.9 m -134.67 97.58 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.557 -0.534 . . . . 72.51 109.557 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 2.7 m -99.44 137.07 38.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 73.52 110.248 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -171.25 156.31 4.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 73.11 110.125 172.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.696 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.65 120.72 23.72 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 116.117 -0.492 . . . . 54.03 110.409 174.831 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -120.0 152.51 37.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 75.45 110.36 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.434 ' HB3' ' CD1' ' A' ' 28' ' ' PHE . 37.3 p90 -84.75 131.65 34.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.038 0.447 . . . . 74.5 110.613 -178.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.29 -124.88 6.91 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.922 -0.656 . . . . 73.13 112.446 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -112.17 164.93 12.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.332 -0.247 . . . . 74.31 110.332 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' HD2' ' A' ' 17' ' ' TYR . 56.9 m -99.54 128.94 45.67 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.245 -1.02 . . . . 53.33 108.245 169.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.27 165.96 21.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.881 0.372 . . . . 73.54 110.976 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -58.77 -25.8 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.925 -0.58 . . . . 74.24 112.44 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -93.49 -0.93 56.18 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.746 -0.381 . . . . 72.1 110.828 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.949 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 52.4 mt-10 -106.84 118.08 35.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.523 -0.308 . . . . 70.12 110.328 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.474 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 11.2 p -76.85 135.34 38.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.304 -0.407 . . . . 75.44 110.572 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.46 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 68.0 t80 -86.29 105.94 17.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.016 0.436 . . . . 74.02 109.923 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.483 ' HB2' HD23 ' A' ' 30' ' ' LEU . 25.0 m -84.27 -46.54 11.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.977 -0.556 . . . . 74.15 110.672 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.5 -129.67 1.39 Allowed Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.804 -0.634 . . . . 70.04 111.914 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -152.72 161.27 42.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.63 0.252 . . . . 51.13 111.073 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.7 m -139.09 116.84 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 74.25 110.847 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -87.85 103.27 15.5 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.958 -0.756 . . . . 75.11 108.958 173.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.678 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 65.6 mt -127.05 112.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.499 -0.319 . . . . 61.13 110.742 -174.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 m120 58.54 55.24 4.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.703 -0.681 . . . . 74.12 112.06 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 14.0 74.71 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.62 -0.718 . . . . 72.32 113.281 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -133.73 128.08 34.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.842 0.353 . . . . 73.12 110.641 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -96.0 110.96 25.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.843 0.83 . . . . 73.31 110.546 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.678 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 49.9 m-85 -100.7 151.63 21.43 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.266 -0.879 . . . . 73.54 109.85 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -93.77 130.47 39.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.296 -0.631 . . . . 74.13 109.296 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.696 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 2.8 tt -80.72 102.6 10.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.59 -0.522 . . . . 72.41 109.59 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 16' ' ' SER . 1.8 m -117.06 135.05 54.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.401 -0.592 . . . . 72.14 109.401 -178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 49.9 t -117.6 105.8 12.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.257 0.551 . . . . 75.22 110.515 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.949 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 7.5 ptm180 . . . . . 0 C--O 1.252 1.192 0 CA-C-N 115.414 -0.812 . . . . 75.45 109.872 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.489 ' HG3' ' HB3' ' A' ' 32' ' ' CYS . 21.5 ttt180 . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.954 0.407 . . . . 75.42 110.806 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.563 ' HG2' ' OXT' ' A' ' 33' ' ' ARG . 7.1 ptp180 -123.89 -26.22 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.024 -0.535 . . . . 74.41 109.595 176.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 m -147.37 118.67 7.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 75.44 110.283 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.78 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 9.8 m -99.24 138.69 35.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.684 -0.235 . . . . 73.33 110.783 -173.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -165.73 150.11 8.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.052 0.453 . . . . 75.53 111.096 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.631 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.88 130.13 35.32 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.83 -0.623 . . . . 63.14 110.792 173.154 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.587 ' HD3' ' HB3' ' A' ' 11' ' ' CYS . 15.9 ptm180 -132.33 139.8 48.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.651 0.262 . . . . 75.24 110.949 177.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -65.44 153.78 40.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.925 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.52 -142.27 30.98 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.186 -0.766 . . . . 74.11 111.186 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -111.04 160.85 16.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.985 0.421 . . . . 73.31 110.143 173.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.587 ' HB3' ' HD3' ' A' ' 7' ' ' ARG . 7.4 p -98.77 -179.44 4.29 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.684 -0.689 . . . . 64.02 110.157 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.562 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 36.2 m-85 -76.83 153.55 34.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.751 -0.463 . . . . 71.31 109.751 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -77.15 1.97 16.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 74.01 110.931 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -100.68 -3.02 31.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.88 -0.6 . . . . 75.24 110.243 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.562 ' HG3' ' HB2' ' A' ' 12' ' ' PHE . 41.3 mt-10 -101.54 143.15 31.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.799 -0.637 . . . . 72.52 109.579 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -84.99 118.71 24.73 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.237 -0.185 . . . . 70.41 110.806 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -73.09 106.83 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.957 0.408 . . . . 75.32 109.991 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.772 ' HB2' HD22 ' A' ' 30' ' ' LEU . 16.5 m -84.14 -44.52 13.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.838 -0.619 . . . . 74.11 111.31 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.89 -149.18 8.7 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.828 -0.701 . . . . 64.33 111.866 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 m -133.62 133.79 42.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.67 0.271 . . . . 72.35 110.709 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 84.1 m -105.59 141.48 36.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.357 -0.383 . . . . 73.43 110.948 176.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -120.25 101.73 8.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.859 -0.793 . . . . 64.33 108.859 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -122.08 123.79 69.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.851 -0.613 . . . . 71.32 110.111 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.92 26.97 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 73.43 111.027 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.97 13.08 83.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.089 -0.577 . . . . 74.55 112.215 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 26' ' ' ARG . 54.7 mtt-85 -119.43 127.71 53.35 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.252 -0.648 . . . . 74.15 109.252 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -80.41 129.89 36.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.363 0.602 . . . . 61.11 110.914 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -128.0 114.39 17.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.548 -0.751 . . . . 75.53 109.41 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.1 p -58.42 123.05 14.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.754 0.311 . . . . 71.41 110.194 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.772 HD22 ' HB2' ' A' ' 18' ' ' SER . 2.4 tt -85.49 99.58 11.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.799 -0.815 . . . . 61.3 108.799 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.3 m -118.82 123.42 44.72 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.228 0.537 . . . . 73.12 109.741 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.78 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 11.0 t -90.61 104.54 17.11 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.588 -0.733 . . . . 73.1 109.505 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' OXT' ' HG2' ' A' ' 2' ' ' ARG . 23.7 mtp180 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.132 -0.94 . . . . 74.21 109.945 -175.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.08 -0.341 . . . . 73.41 110.08 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -138.41 -45.65 0.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.947 0.403 . . . . 74.42 110.421 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -117.23 109.15 16.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.538 -0.541 . . . . 64.21 109.538 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 1.9 m -113.43 137.52 51.41 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.791 -0.364 . . . . 72.53 111.164 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -171.73 157.01 4.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 75.01 110.397 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.692 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.87 126.3 30.52 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 116.378 -0.374 . . . . 71.24 110.104 172.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -120.41 146.4 46.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.346 . . . . 75.3 111.232 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -62.01 131.22 48.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.245 0.545 . . . . 75.21 111.421 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.09 -130.31 9.69 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.785 -0.721 . . . . 71.31 112.254 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.0 171.75 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.709 0.29 . . . . 73.01 110.741 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.9 m -110.4 179.32 4.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.347 -0.388 . . . . 74.04 110.572 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -93.4 165.61 12.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.582 -0.281 . . . . 74.24 110.283 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -80.22 6.16 12.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.838 0.351 . . . . 65.23 111.617 -173.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 14' ' ' ARG . 18.9 mtm180 -100.44 -3.92 29.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.108 0.48 . . . . 75.43 109.837 174.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.854 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 36.8 mt-10 -105.46 150.7 25.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.753 -0.658 . . . . 62.25 110.009 -177.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -99.29 138.01 36.99 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.672 -0.492 . . . . 73.01 109.672 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -82.05 108.52 15.6 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.538 -0.542 . . . . 75.11 109.538 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.825 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 4.8 m -81.69 -48.92 11.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.996 -0.547 . . . . 65.04 110.504 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.68 -148.15 7.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.876 -0.678 . . . . 55.35 111.931 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.2 p -134.1 142.35 47.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.02 0.438 . . . . 75.14 111.412 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.8 m -125.28 109.75 13.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 74.52 110.477 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -97.7 100.83 12.23 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.037 0.446 . . . . 73.41 110.171 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.6 mt -130.93 139.54 50.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.839 -0.618 . . . . 74.2 109.967 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 67.26 10.94 8.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.598 0.713 . . . . 71.34 110.435 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.87 9.47 74.23 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.943 -0.646 . . . . 75.53 112.032 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -118.11 133.52 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.024 -0.732 . . . . 74.14 109.024 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tt -84.88 110.02 18.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.87 0.843 . . . . 74.02 110.643 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -100.16 112.35 24.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.216 -0.902 . . . . 72.54 109.572 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 m -69.76 119.6 14.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.963 0.411 . . . . 73.44 110.035 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.825 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 60.3 tp -76.77 106.76 8.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.908 -0.587 . . . . 65.31 109.56 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.2 m -129.53 163.95 24.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.222 -0.444 . . . . 74.12 109.924 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 33.2 t -143.45 124.39 14.33 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.923 -0.399 . . . . 64.15 109.923 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.854 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.687 0 N-CA-C 109.046 -0.724 . . . . 71.42 109.046 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 121.302 0.572 . . . . 75.55 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -140.93 -31.55 0.6 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.166 -0.924 . . . . 75.34 110.462 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -107.43 90.15 3.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.323 -0.621 . . . . 74.35 109.323 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.7 m -104.68 138.15 41.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.282 -0.417 . . . . 71.14 111.572 -171.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 ptm85 -171.16 155.71 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.737 -0.665 . . . . 75.45 109.859 169.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.681 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -77.89 129.39 35.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.94 -0.573 . . . . 74.53 110.863 -178.493 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -116.86 150.52 38.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.043 0.449 . . . . 74.14 111.352 -174.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.442 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 35.7 p90 -86.96 136.59 32.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.881 -0.6 . . . . 74.21 110.911 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.47 -98.54 2.0 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.863 -0.684 . . . . 63.54 112.903 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -111.57 162.51 15.06 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.136 0.493 . . . . 75.43 111.255 -176.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -121.79 172.17 8.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.449 -0.796 . . . . 74.44 108.901 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.705 ' HE1' ' HD3' ' A' ' 14' ' ' ARG . 8.0 t80 -85.12 147.3 26.7 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.038 -0.727 . . . . 74.31 109.038 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.76 -3.09 26.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.036 0.446 . . . . 75.55 111.747 -175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.705 ' HD3' ' HE1' ' A' ' 12' ' ' PHE . 38.4 mtp85 -96.44 -7.57 34.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.799 174.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 12' ' ' PHE . 40.8 mt-10 -82.02 135.09 35.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.688 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 m -80.38 133.87 35.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.892 -0.595 . . . . 74.25 109.506 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -87.93 106.93 18.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.077 0.465 . . . . 73.23 110.167 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.567 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 20.3 m -83.09 -50.89 8.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.849 -0.614 . . . . 73.4 110.917 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.26 -130.73 1.49 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.09 -0.576 . . . . 74.32 111.993 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 p -153.12 147.14 25.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.924 0.392 . . . . 75.41 111.574 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.83 109.22 14.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.54 . . . . 75.33 110.583 176.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -83.03 103.38 12.43 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.113 -0.699 . . . . 71.21 109.113 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.432 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 60.3 mt -113.77 110.16 31.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.343 -0.389 . . . . 74.42 110.714 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 64.05 23.64 13.3 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.75 -0.659 . . . . 75.23 111.91 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.69 -6.21 44.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.92 -0.657 . . . . 63.11 112.98 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.65 133.9 55.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.779 -0.452 . . . . 73.14 109.779 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.1 tt -93.03 110.53 23.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.765 0.793 . . . . 74.02 111.329 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 8' ' ' PHE . 16.2 m-85 -92.83 119.69 32.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.405 -0.816 . . . . 64.43 109.188 175.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 p -67.99 122.48 18.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.682 0.277 . . . . 73.42 110.303 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.681 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 56.5 tp -76.88 99.55 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.205 0.526 . . . . 74.43 110.202 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 57.7 m -118.59 168.51 10.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.307 -0.86 . . . . 74.04 109.722 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 39.7 t -153.16 120.55 5.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.581 -0.448 . . . . 75.44 111.887 -171.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? . . . . . 0 C--O 1.25 1.107 0 CA-C-O 119.052 -0.499 . . . . 72.21 110.026 176.731 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.52 ' O ' ' HD2' ' A' ' 1' ' ' ARG . 6.0 ppt_? . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.712 0.291 . . . . 74.44 110.295 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -172.08 -54.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.885 -0.598 . . . . 74.4 109.403 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -120.32 100.82 7.39 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.157 -0.683 . . . . 74.3 109.157 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 32' ' ' CYS . 2.9 m -112.32 136.16 52.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.241 -0.436 . . . . 70.4 110.344 -174.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -172.44 158.47 4.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 73.34 110.381 171.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.626 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.59 126.05 30.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.296 -0.411 . . . . 74.05 110.293 175.017 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -111.49 143.11 42.86 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.894 0.378 . . . . 64.1 111.976 -174.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.457 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 58.9 t80 -81.76 101.28 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.059 0.457 . . . . 75.22 110.225 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.84 -139.45 10.92 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.183 -0.767 . . . . 73.3 111.183 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.1 154.32 25.61 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.927 -0.397 . . . . 73.33 109.927 176.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.9 m -98.53 162.93 12.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.733 0.302 . . . . 75.3 110.529 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -84.31 165.22 18.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.479 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -66.93 -29.6 69.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.74 0.305 . . . . 65.23 111.141 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -73.86 2.29 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.872 0.693 . . . . 75.41 112.872 -175.69 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.9 pt-20 -130.69 140.79 50.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.848 0.356 . . . . 74.54 110.113 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -83.2 142.52 31.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.539 -176.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -82.98 107.34 15.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.818 -0.628 . . . . 71.13 109.533 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.45 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 17.1 m -82.29 -46.81 13.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.63 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.66 -141.08 4.56 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.913 -0.585 . . . . 73.12 111.823 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 p -150.92 133.38 15.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.002 0.43 . . . . 72.35 111.168 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.3 m -99.11 123.71 43.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.929 -0.578 . . . . 74.43 110.135 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -98.08 84.87 3.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.251 0.548 . . . . 75.33 109.573 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 64.0 mt -100.51 120.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 74.33 110.879 -175.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 64.49 22.32 12.67 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.274 0.559 . . . . 73.14 111.311 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 18.64 59.49 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.826 -0.702 . . . . 73.2 112.073 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -122.89 149.66 43.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.541 -0.54 . . . . 74.41 109.541 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 tt -101.22 115.21 42.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.76 0.791 . . . . 73.45 111.659 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 8' ' ' PHE . 62.6 m-85 -109.65 116.24 31.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.281 -0.872 . . . . 71.51 108.814 174.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 p -69.33 116.88 10.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.845 0.355 . . . . 71.14 110.882 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.626 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 67.1 tp -73.71 107.99 6.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.277 -0.42 . . . . 72.25 110.192 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.9 m -132.92 160.79 36.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.769 -0.65 . . . . 74.34 110.26 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 48.1 t -157.17 142.63 17.37 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.922 -0.399 . . . . 73.15 109.922 -177.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.116 0 N-CA-C 109.056 -0.72 . . . . 70.1 109.056 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.476 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 34.8 tpt85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.429 0.157 . . . . 62.22 111.225 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 88.2 m -154.16 121.48 5.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 72.33 110.827 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.766 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 2.3 m -98.87 138.21 36.33 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.774 -0.825 . . . . 51.34 108.774 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -162.81 151.34 14.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.41 0.624 . . . . 74.32 112.06 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -78.75 122.33 25.88 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.092 -0.958 . . . . 74.33 110.753 173.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -127.74 147.87 50.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.055 0.455 . . . . 70.44 111.926 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -76.16 128.38 34.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.855 -0.611 . . . . 51.33 110.268 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.02 -161.06 21.64 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.335 -0.706 . . . . 71.14 111.335 -176.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -91.59 166.56 12.76 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.885 -0.326 . . . . 71.24 110.189 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 40.5 m -100.27 -179.25 4.07 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.061 0.457 . . . . 75.53 111.24 -174.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.565 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 48.9 t80 -84.06 151.26 25.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.701 -0.851 . . . . 64.14 108.701 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -58.57 -30.27 67.03 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.188 0.44 . . . . 74.4 112.188 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -84.12 -9.54 58.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.591 0.234 . . . . 64.32 111.551 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.876 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 61.2 mt-10 -85.14 118.46 24.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.772 -0.455 . . . . 63.25 109.772 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -75.59 121.68 22.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.378 -0.374 . . . . 52.12 110.774 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.46 107.62 2.11 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.619 -0.511 . . . . 74.05 109.619 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.613 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 13.3 m -82.98 -43.34 16.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.831 -0.622 . . . . 62.12 111.06 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 30' ' ' LEU . . . 179.66 -154.08 13.15 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.667 -0.778 . . . . 62.42 112.237 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.506 ' HB3' HD11 ' A' ' 27' ' ' ILE . 15.8 m -121.78 128.16 51.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 60.03 110.848 -175.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 60.8 m -108.77 128.05 54.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.932 -0.576 . . . . 61.24 110.83 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -122.93 110.96 16.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.361 0.601 . . . . 72.54 110.599 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.74 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 75.4 mt -121.24 121.14 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.802 -0.635 . . . . 73.54 110.323 -177.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 66.71 15.3 10.09 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.801 -0.636 . . . . 74.43 111.743 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.75 4.98 51.62 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.631 -0.795 . . . . 63.22 113.291 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -124.52 136.72 54.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.092 0.446 . . . . 73.32 110.069 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.506 HD11 ' HB3' ' A' ' 20' ' ' SER . 13.9 tt -94.97 123.46 47.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.735 0.779 . . . . 53.43 112.066 -174.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.74 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 40.1 m-85 -105.51 144.76 31.82 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.108 -0.951 . . . . 74.52 108.933 174.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -74.31 119.01 17.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.78 0.324 . . . . 74.41 110.401 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 49.1 tp -86.19 101.71 13.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 72.1 109.929 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.3 m -124.29 151.36 44.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.259 -0.428 . . . . 31.42 110.185 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.766 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 8.6 t -118.92 114.91 23.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.02 0.438 . . . . 74.1 110.274 -176.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.876 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 9.2 ptm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 115.353 -0.84 . . . . 74.11 109.777 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.488 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 2.3 tpm_? . . . . . 0 CA--C 1.52 -0.191 0 N-CA-C 108.709 -0.848 . . . . 75.23 108.709 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -130.8 95.86 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.613 -0.721 . . . . 63.31 109.158 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 4.5 m -110.57 137.32 48.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.537 -0.302 . . . . 75.15 111.686 -170.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -171.31 150.87 2.98 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.004 -0.544 . . . . 75.23 110.211 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.725 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -79.3 128.42 33.3 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.988 -0.551 . . . . 63.34 111.008 179.567 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -124.12 147.41 47.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.825 0.345 . . . . 73.22 111.178 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -71.55 150.46 44.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.208 -0.451 . . . . 65.13 111.235 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.36 -155.15 53.42 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.796 -0.638 . . . . 45.11 112.58 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -72.85 159.02 34.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 71.34 110.296 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.9 m -99.6 168.34 10.01 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.798 -0.445 . . . . 44.44 109.798 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -78.77 154.88 29.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.766 -0.827 . . . . 64.22 108.766 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -65.64 -14.15 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.362 0.504 . . . . 73.42 112.362 -172.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -86.61 -14.34 43.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.953 0.406 . . . . 75.13 111.024 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG2' ' HD2' ' A' ' 33' ' ' ARG . 30.4 mt-10 -93.76 120.55 34.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.673 -173.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -74.15 129.87 38.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.248 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -74.69 106.84 6.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.951 -0.388 . . . . 64.32 109.951 -177.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.676 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 16.6 m -83.12 -55.7 4.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.246 -0.434 . . . . 64.51 110.613 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.96 -134.77 2.12 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.86 -0.609 . . . . 60.23 111.864 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.9 p -141.1 148.32 39.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.09 0.445 . . . . 61.34 111.143 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.2 m -120.26 128.59 53.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.305 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -98.99 100.78 12.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.074 0.464 . . . . 52.43 110.347 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.522 ' HB ' ' CE1' ' A' ' 28' ' ' PHE . 57.5 mt -130.28 132.44 64.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.402 -0.592 . . . . 61.34 109.402 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 67.48 9.86 7.33 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.608 0.718 . . . . 60.15 110.759 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.73 9.27 78.49 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.707 -0.758 . . . . 54.34 111.642 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 26' ' ' ARG . 33.9 mtp85 -110.77 139.3 46.19 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.575 -0.528 . . . . 73.25 109.575 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 27' ' ' ILE . 11.0 tt -92.86 100.58 11.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 122.004 0.907 . . . . 62.32 110.732 -177.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.522 ' CE1' ' HB ' ' A' ' 23' ' ' ILE . 94.0 m-85 -87.53 116.3 25.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.47 -0.786 . . . . 73.13 109.776 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -59.82 111.56 1.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.911 0.386 . . . . 24.54 110.125 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.725 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 58.7 tp -73.82 102.79 4.14 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.36 -0.607 . . . . 40.52 109.36 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.4 m -124.82 136.52 53.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.209 -0.45 . . . . 62.22 109.919 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 54.0 t -123.54 131.73 53.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.11 -0.496 . . . . 72.54 110.416 -175.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HD2' ' HG2' ' A' ' 15' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.871 0 N-CA-C 108.831 -0.803 . . . . 72.34 108.831 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.708 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.79 0.328 . . . . 64.32 110.662 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 m -123.74 103.98 8.71 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.032 -0.358 . . . . 75.31 110.032 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 4.1 m -99.17 135.48 40.52 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.534 -0.466 . . . . 72.35 109.831 -177.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -171.22 149.21 2.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.6 -0.518 . . . . 74.32 109.6 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -85.84 126.78 34.3 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.789 0.328 . . . . 71.14 111.562 -178.73 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -117.28 139.71 50.47 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.649 0.261 . . . . 74.21 110.474 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.423 ' N ' ' HD1' ' A' ' 28' ' ' PHE . 75.6 t80 -79.06 113.64 17.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.434 . . . . 72.15 110.275 -177.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.32 -140.07 12.04 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.417 -0.673 . . . . 43.54 111.417 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -101.08 169.51 8.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.875 0.369 . . . . 63.3 110.79 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 79.3 m -127.45 174.1 9.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 74.31 109.708 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -94.19 165.13 12.76 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.077 -0.712 . . . . 70.54 109.077 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -73.92 -22.51 59.65 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.543 -0.463 . . . . 73.24 111.282 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -62.32 -38.82 90.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.304 0.573 . . . . 75.21 109.979 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.653 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 4.2 pt-20 -92.93 112.8 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.739 -0.664 . . . . 61.33 109.748 177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.8 m -79.02 128.12 32.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.829 -0.623 . . . . 71.3 111.14 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.445 ' HE1' ' HB3' ' A' ' 29' ' ' SER . 78.3 t80 -69.5 106.29 2.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 73.41 109.585 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.4 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 14.8 m -83.65 -42.0 17.15 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 64.43 110.915 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.75 -154.84 14.26 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.913 -0.66 . . . . 50.32 112.091 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -114.83 153.41 30.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.852 0.358 . . . . 64.41 111.094 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 30' ' ' LEU . 86.1 m -133.62 113.66 12.64 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.276 0.472 . . . . 53.23 112.276 -176.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -85.51 102.24 13.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.475 -0.565 . . . . 74.54 109.475 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.644 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 57.0 mt -132.09 107.52 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.962 0.41 . . . . 62.11 111.145 -176.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.8 m120 53.48 58.99 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.252 -0.885 . . . . 73.25 112.37 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.09 -9.89 62.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.907 -0.663 . . . . 65.43 113.801 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -119.35 142.57 48.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.454 0.627 . . . . 74.25 110.337 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -100.87 99.44 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-O 122.125 0.964 . . . . 70.05 110.01 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.644 ' CE2' ' HB ' ' A' ' 23' ' ' ILE . 81.5 m-85 -85.64 159.59 19.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.081 -0.963 . . . . 75.41 111.371 -174.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 7.0 m -96.69 113.84 25.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.712 -0.677 . . . . 74.41 109.646 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.536 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 46.5 tp -72.92 105.05 4.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.84 0.352 . . . . 73.14 110.427 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 73.3 m -128.08 142.37 51.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.154 -0.476 . . . . 72.32 110.003 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 47.5 t -130.24 111.81 12.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.488 -0.324 . . . . 74.11 110.797 -174.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.722 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.815 -0.612 . . . . 71.34 109.708 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.607 0.241 . . . . 72.12 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -133.82 105.14 6.63 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.805 -0.443 . . . . 63.31 109.805 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.2 m -101.61 138.42 38.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.37 -0.377 . . . . 73.42 110.624 -174.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 -167.9 152.31 6.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 64.33 110.538 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.866 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.39 116.93 19.15 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.905 -0.589 . . . . 72.34 110.226 176.178 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -112.53 161.11 17.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 71.54 111.245 -176.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.485 ' HA ' ' HD2' ' A' ' 28' ' ' PHE . 55.4 t80 -69.39 110.91 4.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.803 -0.635 . . . . 72.04 112.113 -174.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.52 -108.73 2.62 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.795 -0.639 . . . . 72.43 114.588 168.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -90.45 133.22 35.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.949 0.404 . . . . 74.14 111.992 -169.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 81.2 m -103.46 156.71 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 64.33 109.952 174.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -75.51 164.75 26.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.685 0.279 . . . . 63.2 110.274 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -63.46 -22.33 66.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.346 -0.388 . . . . 75.33 111.966 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -100.51 6.5 44.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.138 0.422 . . . . 72.1 112.138 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.886 ' HG2' ' HG3' ' A' ' 33' ' ' ARG . 43.7 mt-10 -93.95 113.39 25.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.184 -0.673 . . . . 71.33 109.184 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.5 p -71.94 122.31 20.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.526 . . . . 60.02 111.049 -175.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 29' ' ' SER . 24.3 t80 -82.74 106.62 14.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.204 -0.453 . . . . 65.23 109.959 -176.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.552 ' HB2' HD22 ' A' ' 30' ' ' LEU . 18.7 m -82.78 -48.46 10.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.31 0.576 . . . . 75.52 110.445 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.93 -136.56 2.78 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.488 -0.778 . . . . 62.51 111.499 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -147.6 143.01 27.42 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.776 0.322 . . . . 45.43 110.361 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.7 m -119.26 114.42 22.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.353 -0.385 . . . . 73.51 110.809 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 11.0 t30 -85.78 98.53 10.78 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.164 -0.68 . . . . 72.21 109.164 174.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -112.35 112.76 41.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.991 -0.55 . . . . 64.0 110.708 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 60.05 31.5 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 55.2 111.309 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.48 -21.4 41.14 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.758 -0.734 . . . . 55.34 113.083 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -104.82 127.37 52.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.04 0.42 . . . . 52.13 110.376 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.497 ' HA ' ' HA ' ' A' ' 22' ' ' ASN . 15.6 tt -94.67 124.01 47.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.373 0.606 . . . . 65.21 110.151 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.485 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 62.2 m-85 -112.93 138.9 49.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.844 -0.616 . . . . 74.14 110.11 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.489 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 15.1 m -73.26 116.47 13.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.498 -0.319 . . . . 43.45 110.427 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.866 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 2.6 tt -74.18 109.44 7.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.624 -0.509 . . . . 63.32 109.624 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 71.2 m -130.84 137.75 49.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.991 0.424 . . . . 72.03 110.328 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 12.9 t -107.91 126.17 52.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.548 -176.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.886 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.243 0.755 0 CA-C-N 115.848 -0.615 . . . . 63.33 110.187 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.923 0.392 . . . . 72.5 110.622 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.9 m -133.48 119.02 19.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.829 0.347 . . . . 55.03 110.229 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 5.2 m -97.76 136.92 37.41 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.683 -0.858 . . . . 70.12 108.683 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -160.99 150.3 16.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.386 0.612 . . . . 75.3 111.369 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -78.45 120.92 23.86 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.098 -0.955 . . . . 72.25 110.787 173.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -128.08 152.2 48.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.72 0.295 . . . . 55.2 110.645 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.546 ' HB3' ' CD1' ' A' ' 28' ' ' PHE . 44.3 p90 -94.05 159.98 14.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.285 -0.416 . . . . 73.1 110.732 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.43 -117.5 4.65 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.739 -0.664 . . . . 52.12 112.396 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -112.67 146.27 38.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.445 0.164 . . . . 72.41 110.945 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -99.99 167.65 10.35 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.128 -0.693 . . . . 53.42 109.128 171.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.35 150.85 25.1 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.247 -0.649 . . . . 73.33 109.247 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -63.12 -18.73 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.491 . . . . 72.24 111.214 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -88.06 -6.7 57.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.901 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.641 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 52.2 mt-10 -91.44 114.16 26.62 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.759 -0.46 . . . . 75.25 109.759 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.7 m -68.0 119.5 12.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.339 -0.391 . . . . 60.41 110.541 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -78.51 106.63 10.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.268 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.635 ' HB2' HD22 ' A' ' 30' ' ' LEU . 54.1 m -83.83 -50.04 8.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.055 -0.521 . . . . 72.04 111.253 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.0 -135.73 1.98 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.875 -0.678 . . . . 35.15 112.106 -176.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.2 p -153.59 134.5 13.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.913 0.387 . . . . 72.2 111.187 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 65.9 m -101.25 154.3 18.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.067 -0.515 . . . . 72.41 110.127 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -127.8 105.48 8.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.844 -0.428 . . . . 63.4 109.844 174.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.48 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 64.4 mt -102.23 97.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.053 -0.521 . . . . 61.41 110.442 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 58.98 39.0 24.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.35 -0.841 . . . . 32.12 111.638 173.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.23 -19.74 26.74 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.427 -0.892 . . . . 64.11 113.246 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -102.64 136.56 42.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.018 0.409 . . . . 65.41 110.355 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.7 tt -102.75 124.83 57.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.445 0.64 . . . . 71.01 110.755 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 8' ' ' PHE . 56.2 m-85 -116.54 126.32 53.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.202 -0.666 . . . . 73.3 109.202 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 p -66.85 128.39 36.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.943 0.401 . . . . 75.21 110.344 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 ' HB2' ' A' ' 18' ' ' SER . 4.5 tt -83.99 99.52 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.143 -0.688 . . . . 65.1 109.143 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.596 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 86.3 m -115.49 141.27 48.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.577 -0.738 . . . . 41.31 109.449 -178.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 12.9 t -119.07 104.49 10.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.397 -0.365 . . . . 73.32 110.909 -171.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.641 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.727 -0.654 . . . . 75.33 110.369 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.407 ' HD2' HH11 ' A' ' 2' ' ' ARG . 15.5 ptt180 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.961 0.41 . . . . 64.32 110.286 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.9 m -134.67 97.58 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.557 -0.534 . . . . 72.04 109.557 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 2.7 m -99.44 137.07 38.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 72.33 110.248 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -171.25 156.31 4.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 73.11 110.125 172.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.65 120.72 23.72 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 116.117 -0.492 . . . . 53.3 110.409 174.831 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -120.0 152.51 37.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 75.45 110.36 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.438 ' HB3' ' CD1' ' A' ' 28' ' ' PHE . 37.3 p90 -84.75 131.65 34.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.038 0.447 . . . . 74.5 110.613 -178.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.29 -124.88 6.91 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.922 -0.656 . . . . 73.13 112.446 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -112.17 164.93 12.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.332 -0.247 . . . . 71.51 110.332 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.458 ' SG ' ' HD2' ' A' ' 17' ' ' TYR . 56.9 m -99.54 128.94 45.67 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.245 -1.02 . . . . 53.33 108.245 169.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.27 165.96 21.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.881 0.372 . . . . 73.54 110.976 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -58.77 -25.8 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.925 -0.58 . . . . 74.24 112.44 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -93.49 -0.93 56.18 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.746 -0.381 . . . . 72.1 110.828 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.965 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 52.4 mt-10 -106.84 118.08 35.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.523 -0.308 . . . . 64.11 110.328 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 11.2 p -76.85 135.34 38.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.304 -0.407 . . . . 75.44 110.572 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.458 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 68.0 t80 -86.29 105.94 17.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.016 0.436 . . . . 74.02 109.923 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.503 ' HB2' HD22 ' A' ' 30' ' ' LEU . 25.0 m -84.27 -46.54 11.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.977 -0.556 . . . . 74.15 110.672 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.5 -129.67 1.39 Allowed Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.804 -0.634 . . . . 44.01 111.914 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -152.72 161.27 42.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.63 0.252 . . . . 45.44 111.073 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.7 m -139.09 116.84 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 74.25 110.847 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -87.85 103.27 15.5 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.958 -0.756 . . . . 72.12 108.958 173.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.687 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 65.6 mt -127.05 112.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.499 -0.319 . . . . 61.13 110.742 -174.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 m120 58.54 55.24 4.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.703 -0.681 . . . . 72.43 112.06 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 14.0 74.71 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.62 -0.718 . . . . 72.32 113.281 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -133.73 128.08 34.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.842 0.353 . . . . 73.12 110.641 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -96.0 110.96 25.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.843 0.83 . . . . 70.11 110.546 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.687 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 49.9 m-85 -100.7 151.63 21.43 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.266 -0.879 . . . . 73.54 109.85 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -93.77 130.47 39.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.296 -0.631 . . . . 74.13 109.296 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 2.8 tt -80.72 102.6 10.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.59 -0.522 . . . . 63.54 109.59 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 16' ' ' SER . 1.8 m -117.06 135.05 54.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.401 -0.592 . . . . 72.14 109.401 -178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 49.9 t -117.6 105.8 12.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.257 0.551 . . . . 75.22 110.515 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.965 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 7.5 ptm180 . . . . . 0 C--O 1.252 1.192 0 CA-C-N 115.414 -0.812 . . . . 75.45 109.872 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.57 ' HG2' ' OXT' ' A' ' 33' ' ' ARG . 7.1 ptp180 . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.595 -0.52 . . . . 62.13 109.595 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 m -147.37 118.67 7.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 73.34 110.283 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 9.8 m -99.24 138.69 35.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.684 -0.235 . . . . 73.33 110.783 -173.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -165.73 150.11 8.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.052 0.453 . . . . 72.13 111.096 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.88 130.13 35.32 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.83 -0.623 . . . . 55.42 110.792 173.154 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.607 ' HD3' ' HB3' ' A' ' 11' ' ' CYS . 15.9 ptm180 -132.33 139.8 48.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.651 0.262 . . . . 61.04 110.949 177.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -65.44 153.78 40.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.925 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.52 -142.27 30.98 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.186 -0.766 . . . . 71.1 111.186 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -111.04 160.85 16.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.985 0.421 . . . . 72.22 110.143 173.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HB3' ' HD3' ' A' ' 7' ' ' ARG . 7.4 p -98.77 -179.44 4.29 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.684 -0.689 . . . . 64.02 110.157 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.577 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 36.2 m-85 -76.83 153.55 34.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.751 -0.463 . . . . 71.11 109.751 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -77.15 1.97 16.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 74.01 110.931 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -100.68 -3.02 31.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.88 -0.6 . . . . 54.52 110.243 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 12' ' ' PHE . 41.3 mt-10 -101.54 143.15 31.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.799 -0.637 . . . . 72.52 109.579 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -84.99 118.71 24.73 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.237 -0.185 . . . . 70.41 110.806 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -73.09 106.83 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.957 0.408 . . . . 74.51 109.991 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.789 ' HB2' HD22 ' A' ' 30' ' ' LEU . 16.5 m -84.14 -44.52 13.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.838 -0.619 . . . . 72.31 111.31 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.89 -149.18 8.7 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.828 -0.701 . . . . 64.33 111.866 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 m -133.62 133.79 42.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.67 0.271 . . . . 72.35 110.709 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 84.1 m -105.59 141.48 36.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.357 -0.383 . . . . 73.04 110.948 176.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -120.25 101.73 8.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.859 -0.793 . . . . 64.33 108.859 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -122.08 123.79 69.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.851 -0.613 . . . . 71.32 110.111 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.92 26.97 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 73.43 111.027 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.97 13.08 83.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.089 -0.577 . . . . 62.04 112.215 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 26' ' ' ARG . 54.7 mtt-85 -119.43 127.71 53.35 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.252 -0.648 . . . . 74.15 109.252 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -80.41 129.89 36.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.363 0.602 . . . . 61.11 110.914 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -128.0 114.39 17.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.548 -0.751 . . . . 75.53 109.41 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.1 p -58.42 123.05 14.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.754 0.311 . . . . 35.13 110.194 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.789 HD22 ' HB2' ' A' ' 18' ' ' SER . 2.4 tt -85.49 99.58 11.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.799 -0.815 . . . . 53.2 108.799 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.3 m -118.82 123.42 44.72 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.228 0.537 . . . . 73.12 109.741 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 11.0 t -90.61 104.54 17.11 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.588 -0.733 . . . . 71.2 109.505 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.57 ' OXT' ' HG2' ' A' ' 2' ' ' ARG . 23.7 mtp180 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.132 -0.94 . . . . 61.24 109.945 -175.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.947 0.403 . . . . 70.21 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -117.23 109.15 16.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.538 -0.541 . . . . 64.21 109.538 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 1.9 m -113.43 137.52 51.41 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.791 -0.364 . . . . 72.53 111.164 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -171.73 157.01 4.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 53.05 110.397 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.87 126.3 30.52 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 116.378 -0.374 . . . . 71.24 110.104 172.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -120.41 146.4 46.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.346 . . . . 75.3 111.232 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -62.01 131.22 48.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.245 0.545 . . . . 75.21 111.421 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.09 -130.31 9.69 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.785 -0.721 . . . . 33.41 112.254 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.0 171.75 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.709 0.29 . . . . 72.41 110.741 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.9 m -110.4 179.32 4.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.347 -0.388 . . . . 71.41 110.572 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -93.4 165.61 12.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.582 -0.281 . . . . 70.02 110.283 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -80.22 6.16 12.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.838 0.351 . . . . 64.01 111.617 -173.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -100.44 -3.92 29.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.108 0.48 . . . . 74.21 109.837 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.879 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 36.8 mt-10 -105.46 150.7 25.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.753 -0.658 . . . . 60.44 110.009 -177.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -99.29 138.01 36.99 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.672 -0.492 . . . . 73.0 109.672 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -82.05 108.52 15.6 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.538 -0.542 . . . . 75.11 109.538 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.819 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 4.8 m -81.69 -48.92 11.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.996 -0.547 . . . . 65.04 110.504 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.68 -148.15 7.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.876 -0.678 . . . . 35.42 111.931 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.2 p -134.1 142.35 47.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.02 0.438 . . . . 70.53 111.412 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.8 m -125.28 109.75 13.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 70.3 110.477 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -97.7 100.83 12.23 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.037 0.446 . . . . 55.31 110.171 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.6 mt -130.93 139.54 50.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.839 -0.618 . . . . 72.33 109.967 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 67.26 10.94 8.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.598 0.713 . . . . 71.34 110.435 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.87 9.47 74.23 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.943 -0.646 . . . . 75.53 112.032 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -118.11 133.52 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.024 -0.732 . . . . 74.14 109.024 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tt -84.88 110.02 18.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.87 0.843 . . . . 74.02 110.643 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -100.16 112.35 24.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.216 -0.902 . . . . 62.24 109.572 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 m -69.76 119.6 14.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.963 0.411 . . . . 73.44 110.035 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.819 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 60.3 tp -76.77 106.76 8.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.908 -0.587 . . . . 65.31 109.56 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.2 m -129.53 163.95 24.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.222 -0.444 . . . . 74.12 109.924 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 33.2 t -143.45 124.39 14.33 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.923 -0.399 . . . . 64.15 109.923 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.879 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.687 0 N-CA-C 109.046 -0.724 . . . . 71.42 109.046 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.781 0.324 . . . . 75.34 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -107.43 90.15 3.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.323 -0.621 . . . . 73.12 109.323 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.7 m -104.68 138.15 41.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.282 -0.417 . . . . 71.14 111.572 -171.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 ptm85 -171.16 155.71 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.737 -0.665 . . . . 75.45 109.859 169.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -77.89 129.39 35.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.94 -0.573 . . . . 74.5 110.863 -178.493 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -116.86 150.52 38.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.043 0.449 . . . . 74.14 111.352 -174.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.443 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 35.7 p90 -86.96 136.59 32.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.881 -0.6 . . . . 74.21 110.911 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.47 -98.54 2.0 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.863 -0.684 . . . . 63.54 112.903 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -111.57 162.51 15.06 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.136 0.493 . . . . 63.1 111.255 -176.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -121.79 172.17 8.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.449 -0.796 . . . . 74.44 108.901 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.705 ' HE1' ' HD3' ' A' ' 14' ' ' ARG . 8.0 t80 -85.12 147.3 26.7 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.038 -0.727 . . . . 74.31 109.038 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.76 -3.09 26.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.036 0.446 . . . . 75.55 111.747 -175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.705 ' HD3' ' HE1' ' A' ' 12' ' ' PHE . 38.4 mtp85 -96.44 -7.57 34.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.799 174.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HG3' ' HB3' ' A' ' 12' ' ' PHE . 40.8 mt-10 -82.02 135.09 35.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.192 -0.458 . . . . 51.03 110.688 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 m -80.38 133.87 35.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.892 -0.595 . . . . 74.25 109.506 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -87.93 106.93 18.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.077 0.465 . . . . 73.02 110.167 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.567 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 20.3 m -83.09 -50.89 8.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.849 -0.614 . . . . 71.44 110.917 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.26 -130.73 1.49 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.09 -0.576 . . . . 74.32 111.993 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 p -153.12 147.14 25.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.924 0.392 . . . . 75.41 111.574 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.83 109.22 14.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.54 . . . . 75.33 110.583 176.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -83.03 103.38 12.43 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.113 -0.699 . . . . 65.31 109.113 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.445 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 60.3 mt -113.77 110.16 31.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.343 -0.389 . . . . 74.42 110.714 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 64.05 23.64 13.3 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.75 -0.659 . . . . 61.54 111.91 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.69 -6.21 44.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.92 -0.657 . . . . 63.11 112.98 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.65 133.9 55.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.779 -0.452 . . . . 73.14 109.779 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.1 tt -93.03 110.53 23.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.765 0.793 . . . . 61.32 111.329 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.448 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 16.2 m-85 -92.83 119.69 32.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.405 -0.816 . . . . 64.43 109.188 175.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 p -67.99 122.48 18.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.682 0.277 . . . . 72.4 110.303 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.647 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 56.5 tp -76.88 99.55 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.205 0.526 . . . . 74.43 110.202 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 57.7 m -118.59 168.51 10.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.307 -0.86 . . . . 41.12 109.722 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.438 ' H ' ' HB3' ' A' ' 15' ' ' GLU . 39.7 t -153.16 120.55 5.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.581 -0.448 . . . . 75.44 111.887 -171.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? . . . . . 0 C--O 1.25 1.107 0 CA-C-O 119.052 -0.499 . . . . 72.01 110.026 176.731 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.415 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 25.6 tpp180 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.403 -0.591 . . . . 74.3 109.403 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -120.32 100.82 7.39 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.157 -0.683 . . . . 62.53 109.157 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 32' ' ' CYS . 2.9 m -112.32 136.16 52.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.241 -0.436 . . . . 42.54 110.344 -174.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -172.44 158.47 4.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 64.13 110.381 171.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.59 126.05 30.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.296 -0.411 . . . . 74.05 110.293 175.017 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -111.49 143.11 42.86 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.894 0.378 . . . . 64.1 111.976 -174.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.46 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 58.9 t80 -81.76 101.28 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.059 0.457 . . . . 73.1 110.225 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.84 -139.45 10.92 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.183 -0.767 . . . . 52.4 111.183 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.1 154.32 25.61 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.927 -0.397 . . . . 72.22 109.927 176.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.9 m -98.53 162.93 12.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.733 0.302 . . . . 75.3 110.529 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -84.31 165.22 18.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.479 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -66.93 -29.6 69.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.74 0.305 . . . . 64.01 111.141 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.432 ' HG3' ' H ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -73.86 2.29 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.872 0.693 . . . . 75.41 112.872 -175.69 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.9 pt-20 -130.69 140.79 50.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.848 0.356 . . . . 74.54 110.113 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -83.2 142.52 31.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.539 -176.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -82.98 107.34 15.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.818 -0.628 . . . . 71.13 109.533 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.463 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 17.1 m -82.29 -46.81 13.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.63 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.66 -141.08 4.56 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.913 -0.585 . . . . 71.13 111.823 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 p -150.92 133.38 15.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.002 0.43 . . . . 72.35 111.168 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.3 m -99.11 123.71 43.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.929 -0.578 . . . . 74.43 110.135 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -98.08 84.87 3.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.251 0.548 . . . . 75.33 109.573 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 64.0 mt -100.51 120.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 74.33 110.879 -175.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 64.49 22.32 12.67 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.274 0.559 . . . . 73.14 111.311 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 18.64 59.49 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.826 -0.702 . . . . 71.04 112.073 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -122.89 149.66 43.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.541 -0.54 . . . . 74.41 109.541 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 tt -101.22 115.21 42.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.76 0.791 . . . . 73.45 111.659 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 62.6 m-85 -109.65 116.24 31.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.281 -0.872 . . . . 64.25 108.814 174.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 p -69.33 116.88 10.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.845 0.355 . . . . 61.15 110.882 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.603 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 67.1 tp -73.71 107.99 6.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.277 -0.42 . . . . 72.25 110.192 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.9 m -132.92 160.79 36.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.769 -0.65 . . . . 41.13 110.26 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 48.1 t -157.17 142.63 17.37 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.922 -0.399 . . . . 44.01 109.922 -177.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.116 0 N-CA-C 109.056 -0.72 . . . . 53.43 109.056 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 121.805 0.812 . . . . 70.35 109.576 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.476 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 34.8 tpt85 -83.14 -36.68 24.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.872 -1.058 . . . . 62.22 111.225 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 88.2 m -154.16 121.48 5.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 72.33 110.827 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.766 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 2.3 m -98.87 138.21 36.33 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.774 -0.825 . . . . 51.34 108.774 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -162.81 151.34 14.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.41 0.624 . . . . 74.32 112.06 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -78.75 122.33 25.88 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.092 -0.958 . . . . 74.33 110.753 173.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -127.74 147.87 50.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.055 0.455 . . . . 70.44 111.926 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -76.16 128.38 34.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.855 -0.611 . . . . 51.33 110.268 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.02 -161.06 21.64 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.335 -0.706 . . . . 71.14 111.335 -176.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -91.59 166.56 12.76 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.885 -0.326 . . . . 71.24 110.189 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 40.5 m -100.27 -179.25 4.07 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.061 0.457 . . . . 75.53 111.24 -174.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 48.9 t80 -84.06 151.26 25.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.701 -0.851 . . . . 64.14 108.701 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -58.57 -30.27 67.03 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.188 0.44 . . . . 74.4 112.188 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -84.12 -9.54 58.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.591 0.234 . . . . 64.32 111.551 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.876 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 61.2 mt-10 -85.14 118.46 24.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.772 -0.455 . . . . 63.25 109.772 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -75.59 121.68 22.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.378 -0.374 . . . . 52.12 110.774 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.46 107.62 2.11 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.619 -0.511 . . . . 74.05 109.619 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.613 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 13.3 m -82.98 -43.34 16.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.831 -0.622 . . . . 62.12 111.06 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 30' ' ' LEU . . . 179.66 -154.08 13.15 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.667 -0.778 . . . . 62.42 112.237 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.506 ' HB3' HD11 ' A' ' 27' ' ' ILE . 15.8 m -121.78 128.16 51.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 60.03 110.848 -175.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 60.8 m -108.77 128.05 54.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.932 -0.576 . . . . 61.24 110.83 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -122.93 110.96 16.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.361 0.601 . . . . 72.54 110.599 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.74 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 75.4 mt -121.24 121.14 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.802 -0.635 . . . . 73.54 110.323 -177.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 66.71 15.3 10.09 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.801 -0.636 . . . . 74.43 111.743 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.75 4.98 51.62 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.631 -0.795 . . . . 63.22 113.291 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -124.52 136.72 54.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.092 0.446 . . . . 73.32 110.069 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.506 HD11 ' HB3' ' A' ' 20' ' ' SER . 13.9 tt -94.97 123.46 47.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.735 0.779 . . . . 53.43 112.066 -174.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.74 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 40.1 m-85 -105.51 144.76 31.82 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.108 -0.951 . . . . 74.52 108.933 174.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -74.31 119.01 17.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.78 0.324 . . . . 74.41 110.401 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 49.1 tp -86.19 101.71 13.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 72.1 109.929 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.3 m -124.29 151.36 44.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.259 -0.428 . . . . 31.42 110.185 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.766 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 8.6 t -118.92 114.91 23.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.02 0.438 . . . . 74.1 110.274 -176.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.876 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 9.2 ptm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 115.353 -0.84 . . . . 74.11 109.777 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.039 0.447 . . . . 72.12 109.934 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 2.3 tpm_? 176.52 -51.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.241 -0.891 . . . . 75.23 108.709 -176.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -130.8 95.86 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.613 -0.721 . . . . 63.31 109.158 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 4.5 m -110.57 137.32 48.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.537 -0.302 . . . . 75.15 111.686 -170.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -171.31 150.87 2.98 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.004 -0.544 . . . . 75.23 110.211 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.725 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -79.3 128.42 33.3 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.988 -0.551 . . . . 63.34 111.008 179.567 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -124.12 147.41 47.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.825 0.345 . . . . 73.22 111.178 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -71.55 150.46 44.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.208 -0.451 . . . . 65.13 111.235 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.36 -155.15 53.42 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.796 -0.638 . . . . 45.11 112.58 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -72.85 159.02 34.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 71.34 110.296 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.9 m -99.6 168.34 10.01 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.798 -0.445 . . . . 44.44 109.798 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -78.77 154.88 29.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.766 -0.827 . . . . 64.22 108.766 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -65.64 -14.15 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.362 0.504 . . . . 73.42 112.362 -172.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -86.61 -14.34 43.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.953 0.406 . . . . 75.13 111.024 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG2' ' HD2' ' A' ' 33' ' ' ARG . 30.4 mt-10 -93.76 120.55 34.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.673 -173.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -74.15 129.87 38.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.248 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -74.69 106.84 6.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.951 -0.388 . . . . 64.32 109.951 -177.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.676 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 16.6 m -83.12 -55.7 4.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.246 -0.434 . . . . 64.51 110.613 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.96 -134.77 2.12 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.86 -0.609 . . . . 60.23 111.864 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.9 p -141.1 148.32 39.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.09 0.445 . . . . 61.34 111.143 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.2 m -120.26 128.59 53.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.305 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -98.99 100.78 12.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.074 0.464 . . . . 52.43 110.347 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.522 ' HB ' ' CE1' ' A' ' 28' ' ' PHE . 57.5 mt -130.28 132.44 64.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.402 -0.592 . . . . 61.34 109.402 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 67.48 9.86 7.33 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.608 0.718 . . . . 60.15 110.759 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.73 9.27 78.49 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.707 -0.758 . . . . 54.34 111.642 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 26' ' ' ARG . 33.9 mtp85 -110.77 139.3 46.19 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.575 -0.528 . . . . 73.25 109.575 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 27' ' ' ILE . 11.0 tt -92.86 100.58 11.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 122.004 0.907 . . . . 62.32 110.732 -177.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.522 ' CE1' ' HB ' ' A' ' 23' ' ' ILE . 94.0 m-85 -87.53 116.3 25.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.47 -0.786 . . . . 73.13 109.776 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -59.82 111.56 1.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.911 0.386 . . . . 24.54 110.125 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.725 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 58.7 tp -73.82 102.79 4.14 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.36 -0.607 . . . . 40.52 109.36 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.4 m -124.82 136.52 53.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.209 -0.45 . . . . 62.22 109.919 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 54.0 t -123.54 131.73 53.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.11 -0.496 . . . . 72.54 110.416 -175.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HD2' ' HG2' ' A' ' 15' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.871 0 N-CA-C 108.831 -0.803 . . . . 72.34 108.831 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.067 0.46 . . . . 65.33 110.211 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.708 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER -120.95 -44.27 2.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.19 -0.459 . . . . 64.32 110.662 179.756 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 m -123.74 103.98 8.71 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.032 -0.358 . . . . 75.31 110.032 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 4.1 m -99.17 135.48 40.52 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.534 -0.466 . . . . 72.35 109.831 -177.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -171.22 149.21 2.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.6 -0.518 . . . . 74.32 109.6 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -85.84 126.78 34.3 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.789 0.328 . . . . 71.14 111.562 -178.73 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -117.28 139.71 50.47 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.649 0.261 . . . . 74.21 110.474 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.423 ' N ' ' HD1' ' A' ' 28' ' ' PHE . 75.6 t80 -79.06 113.64 17.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.434 . . . . 72.15 110.275 -177.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.32 -140.07 12.04 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.417 -0.673 . . . . 43.54 111.417 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -101.08 169.51 8.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.875 0.369 . . . . 63.3 110.79 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 79.3 m -127.45 174.1 9.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 74.31 109.708 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -94.19 165.13 12.76 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.077 -0.712 . . . . 70.54 109.077 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -73.92 -22.51 59.65 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.543 -0.463 . . . . 73.24 111.282 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -62.32 -38.82 90.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.304 0.573 . . . . 75.21 109.979 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.653 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 4.2 pt-20 -92.93 112.8 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.739 -0.664 . . . . 61.33 109.748 177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.8 m -79.02 128.12 32.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.829 -0.623 . . . . 71.3 111.14 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.445 ' HE1' ' HB3' ' A' ' 29' ' ' SER . 78.3 t80 -69.5 106.29 2.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 73.41 109.585 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.4 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 14.8 m -83.65 -42.0 17.15 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 64.43 110.915 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.75 -154.84 14.26 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.913 -0.66 . . . . 50.32 112.091 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -114.83 153.41 30.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.852 0.358 . . . . 64.41 111.094 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 30' ' ' LEU . 86.1 m -133.62 113.66 12.64 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.276 0.472 . . . . 53.23 112.276 -176.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -85.51 102.24 13.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.475 -0.565 . . . . 74.54 109.475 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.644 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 57.0 mt -132.09 107.52 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.962 0.41 . . . . 62.11 111.145 -176.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.8 m120 53.48 58.99 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.252 -0.885 . . . . 73.25 112.37 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.09 -9.89 62.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.907 -0.663 . . . . 65.43 113.801 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -119.35 142.57 48.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.454 0.627 . . . . 74.25 110.337 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -100.87 99.44 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-O 122.125 0.964 . . . . 70.05 110.01 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.644 ' CE2' ' HB ' ' A' ' 23' ' ' ILE . 81.5 m-85 -85.64 159.59 19.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.081 -0.963 . . . . 75.41 111.371 -174.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 7.0 m -96.69 113.84 25.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.712 -0.677 . . . . 74.41 109.646 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.536 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 46.5 tp -72.92 105.05 4.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.84 0.352 . . . . 73.14 110.427 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 73.3 m -128.08 142.37 51.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.154 -0.476 . . . . 72.32 110.003 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 47.5 t -130.24 111.81 12.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.488 -0.324 . . . . 74.11 110.797 -174.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.722 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.815 -0.612 . . . . 71.34 109.708 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.775 0.321 . . . . 72.21 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -136.79 -21.5 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.076 -0.25 . . . . 72.12 111.187 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -133.82 105.14 6.63 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.805 -0.443 . . . . 63.31 109.805 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.2 m -101.61 138.42 38.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.37 -0.377 . . . . 73.42 110.624 -174.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 -167.9 152.31 6.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 64.33 110.538 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.866 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.39 116.93 19.15 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.905 -0.589 . . . . 72.34 110.226 176.178 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -112.53 161.11 17.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 71.54 111.245 -176.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.485 ' HA ' ' HD2' ' A' ' 28' ' ' PHE . 55.4 t80 -69.39 110.91 4.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.803 -0.635 . . . . 72.04 112.113 -174.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.52 -108.73 2.62 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.795 -0.639 . . . . 72.43 114.588 168.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -90.45 133.22 35.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.949 0.404 . . . . 74.14 111.992 -169.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 81.2 m -103.46 156.71 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 64.33 109.952 174.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -75.51 164.75 26.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.685 0.279 . . . . 63.2 110.274 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -63.46 -22.33 66.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.346 -0.388 . . . . 75.33 111.966 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -100.51 6.5 44.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.138 0.422 . . . . 72.1 112.138 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.886 ' HG2' ' HG3' ' A' ' 33' ' ' ARG . 43.7 mt-10 -93.95 113.39 25.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.184 -0.673 . . . . 71.33 109.184 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.5 p -71.94 122.31 20.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.526 . . . . 60.02 111.049 -175.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 29' ' ' SER . 24.3 t80 -82.74 106.62 14.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.204 -0.453 . . . . 65.23 109.959 -176.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.552 ' HB2' HD22 ' A' ' 30' ' ' LEU . 18.7 m -82.78 -48.46 10.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.31 0.576 . . . . 75.52 110.445 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.93 -136.56 2.78 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.488 -0.778 . . . . 62.51 111.499 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -147.6 143.01 27.42 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.776 0.322 . . . . 45.43 110.361 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.7 m -119.26 114.42 22.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.353 -0.385 . . . . 73.51 110.809 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 11.0 t30 -85.78 98.53 10.78 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.164 -0.68 . . . . 72.21 109.164 174.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -112.35 112.76 41.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.991 -0.55 . . . . 64.0 110.708 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 60.05 31.5 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 55.2 111.309 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.48 -21.4 41.14 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.758 -0.734 . . . . 55.34 113.083 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -104.82 127.37 52.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.04 0.42 . . . . 52.13 110.376 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.497 ' HA ' ' HA ' ' A' ' 22' ' ' ASN . 15.6 tt -94.67 124.01 47.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.373 0.606 . . . . 65.21 110.151 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.485 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 62.2 m-85 -112.93 138.9 49.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.844 -0.616 . . . . 74.14 110.11 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.489 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 15.1 m -73.26 116.47 13.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.498 -0.319 . . . . 43.45 110.427 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.866 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 2.6 tt -74.18 109.44 7.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.624 -0.509 . . . . 63.32 109.624 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 71.2 m -130.84 137.75 49.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.991 0.424 . . . . 72.03 110.328 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 12.9 t -107.91 126.17 52.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.548 -176.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.886 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.243 0.755 0 CA-C-N 115.848 -0.615 . . . . 63.33 110.187 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.473 0.654 . . . . 70.11 109.857 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -81.78 -50.9 8.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 72.5 110.622 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.9 m -133.48 119.02 19.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.829 0.347 . . . . 55.03 110.229 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 5.2 m -97.76 136.92 37.41 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.683 -0.858 . . . . 70.12 108.683 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -160.99 150.3 16.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.386 0.612 . . . . 75.3 111.369 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -78.45 120.92 23.86 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.098 -0.955 . . . . 72.25 110.787 173.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -128.08 152.2 48.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.72 0.295 . . . . 55.2 110.645 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.546 ' HB3' ' CD1' ' A' ' 28' ' ' PHE . 44.3 p90 -94.05 159.98 14.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.285 -0.416 . . . . 73.1 110.732 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.43 -117.5 4.65 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.739 -0.664 . . . . 52.12 112.396 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -112.67 146.27 38.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.445 0.164 . . . . 72.41 110.945 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -99.99 167.65 10.35 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.128 -0.693 . . . . 53.42 109.128 171.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.35 150.85 25.1 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.247 -0.649 . . . . 73.33 109.247 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -63.12 -18.73 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.491 . . . . 72.24 111.214 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -88.06 -6.7 57.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.901 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.641 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 52.2 mt-10 -91.44 114.16 26.62 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.759 -0.46 . . . . 75.25 109.759 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.7 m -68.0 119.5 12.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.339 -0.391 . . . . 60.41 110.541 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -78.51 106.63 10.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.268 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.635 ' HB2' HD22 ' A' ' 30' ' ' LEU . 54.1 m -83.83 -50.04 8.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.055 -0.521 . . . . 72.04 111.253 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.0 -135.73 1.98 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.875 -0.678 . . . . 35.15 112.106 -176.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.2 p -153.59 134.5 13.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.913 0.387 . . . . 72.2 111.187 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 65.9 m -101.25 154.3 18.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.067 -0.515 . . . . 72.41 110.127 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -127.8 105.48 8.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.844 -0.428 . . . . 63.4 109.844 174.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.48 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 64.4 mt -102.23 97.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.053 -0.521 . . . . 61.41 110.442 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 58.98 39.0 24.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.35 -0.841 . . . . 32.12 111.638 173.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.23 -19.74 26.74 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.427 -0.892 . . . . 64.11 113.246 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -102.64 136.56 42.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.018 0.409 . . . . 65.41 110.355 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.7 tt -102.75 124.83 57.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.445 0.64 . . . . 71.01 110.755 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 8' ' ' PHE . 56.2 m-85 -116.54 126.32 53.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.202 -0.666 . . . . 73.3 109.202 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 p -66.85 128.39 36.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.943 0.401 . . . . 75.21 110.344 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 ' HB2' ' A' ' 18' ' ' SER . 4.5 tt -83.99 99.52 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.143 -0.688 . . . . 65.1 109.143 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.596 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 86.3 m -115.49 141.27 48.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.577 -0.738 . . . . 41.31 109.449 -178.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 12.9 t -119.07 104.49 10.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.397 -0.365 . . . . 73.32 110.909 -171.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.641 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.727 -0.654 . . . . 75.33 110.369 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 1' ' ' ARG . 27.3 ptt85 . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 121.464 0.649 . . . . 74.32 111.014 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' HD2' HH11 ' A' ' 2' ' ' ARG . 15.5 ptt180 -142.56 -21.36 0.67 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.994 -0.548 . . . . 64.32 110.286 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.9 m -134.67 97.58 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.557 -0.534 . . . . 72.04 109.557 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 2.7 m -99.44 137.07 38.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 72.33 110.248 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -171.25 156.31 4.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 73.11 110.125 172.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.65 120.72 23.72 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 116.117 -0.492 . . . . 53.3 110.409 174.831 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -120.0 152.51 37.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 75.45 110.36 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.438 ' HB3' ' CD1' ' A' ' 28' ' ' PHE . 37.3 p90 -84.75 131.65 34.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.038 0.447 . . . . 74.5 110.613 -178.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.29 -124.88 6.91 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.922 -0.656 . . . . 73.13 112.446 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -112.17 164.93 12.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.332 -0.247 . . . . 71.51 110.332 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' SG ' ' HD2' ' A' ' 17' ' ' TYR . 56.9 m -99.54 128.94 45.67 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.245 -1.02 . . . . 53.33 108.245 169.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.27 165.96 21.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.881 0.372 . . . . 73.54 110.976 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -58.77 -25.8 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.925 -0.58 . . . . 74.24 112.44 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -93.49 -0.93 56.18 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.746 -0.381 . . . . 72.1 110.828 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.965 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 52.4 mt-10 -106.84 118.08 35.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.523 -0.308 . . . . 64.11 110.328 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 11.2 p -76.85 135.34 38.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.304 -0.407 . . . . 75.44 110.572 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.458 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 68.0 t80 -86.29 105.94 17.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.016 0.436 . . . . 74.02 109.923 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.503 ' HB2' HD22 ' A' ' 30' ' ' LEU . 25.0 m -84.27 -46.54 11.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.977 -0.556 . . . . 74.15 110.672 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.5 -129.67 1.39 Allowed Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.804 -0.634 . . . . 44.01 111.914 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -152.72 161.27 42.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.63 0.252 . . . . 45.44 111.073 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.7 m -139.09 116.84 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 74.25 110.847 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -87.85 103.27 15.5 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.958 -0.756 . . . . 72.12 108.958 173.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.687 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 65.6 mt -127.05 112.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.499 -0.319 . . . . 61.13 110.742 -174.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 m120 58.54 55.24 4.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.703 -0.681 . . . . 72.43 112.06 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 14.0 74.71 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.62 -0.718 . . . . 72.32 113.281 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -133.73 128.08 34.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.842 0.353 . . . . 73.12 110.641 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -96.0 110.96 25.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.843 0.83 . . . . 70.11 110.546 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.687 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 49.9 m-85 -100.7 151.63 21.43 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.266 -0.879 . . . . 73.54 109.85 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -93.77 130.47 39.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.296 -0.631 . . . . 74.13 109.296 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 2.8 tt -80.72 102.6 10.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.59 -0.522 . . . . 63.54 109.59 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 16' ' ' SER . 1.8 m -117.06 135.05 54.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.401 -0.592 . . . . 72.14 109.401 -178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 49.9 t -117.6 105.8 12.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.257 0.551 . . . . 75.22 110.515 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.965 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 7.5 ptm180 . . . . . 0 C--O 1.252 1.192 0 CA-C-N 115.414 -0.812 . . . . 75.45 109.872 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.483 ' HG3' ' HB3' ' A' ' 32' ' ' CYS . 21.5 ttt180 . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.954 0.407 . . . . 65.24 110.806 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.57 ' HG2' ' OXT' ' A' ' 33' ' ' ARG . 7.1 ptp180 -123.89 -26.22 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.024 -0.535 . . . . 62.13 109.595 176.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 m -147.37 118.67 7.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 73.34 110.283 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 9.8 m -99.24 138.69 35.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.684 -0.235 . . . . 73.33 110.783 -173.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -165.73 150.11 8.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.052 0.453 . . . . 72.13 111.096 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.88 130.13 35.32 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.83 -0.623 . . . . 55.42 110.792 173.154 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.607 ' HD3' ' HB3' ' A' ' 11' ' ' CYS . 15.9 ptm180 -132.33 139.8 48.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.651 0.262 . . . . 61.04 110.949 177.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -65.44 153.78 40.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.925 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.52 -142.27 30.98 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.186 -0.766 . . . . 71.1 111.186 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -111.04 160.85 16.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.985 0.421 . . . . 72.22 110.143 173.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HB3' ' HD3' ' A' ' 7' ' ' ARG . 7.4 p -98.77 -179.44 4.29 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.684 -0.689 . . . . 64.02 110.157 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.577 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 36.2 m-85 -76.83 153.55 34.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.751 -0.463 . . . . 71.11 109.751 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -77.15 1.97 16.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 74.01 110.931 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -100.68 -3.02 31.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.88 -0.6 . . . . 54.52 110.243 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 12' ' ' PHE . 41.3 mt-10 -101.54 143.15 31.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.799 -0.637 . . . . 72.52 109.579 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -84.99 118.71 24.73 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.237 -0.185 . . . . 70.41 110.806 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -73.09 106.83 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.957 0.408 . . . . 74.51 109.991 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.789 ' HB2' HD22 ' A' ' 30' ' ' LEU . 16.5 m -84.14 -44.52 13.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.838 -0.619 . . . . 72.31 111.31 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.89 -149.18 8.7 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.828 -0.701 . . . . 64.33 111.866 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 m -133.62 133.79 42.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.67 0.271 . . . . 72.35 110.709 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 84.1 m -105.59 141.48 36.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.357 -0.383 . . . . 73.04 110.948 176.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -120.25 101.73 8.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.859 -0.793 . . . . 64.33 108.859 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -122.08 123.79 69.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.851 -0.613 . . . . 71.32 110.111 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.92 26.97 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 73.43 111.027 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.97 13.08 83.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.089 -0.577 . . . . 62.04 112.215 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 26' ' ' ARG . 54.7 mtt-85 -119.43 127.71 53.35 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.252 -0.648 . . . . 74.15 109.252 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -80.41 129.89 36.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.363 0.602 . . . . 61.11 110.914 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -128.0 114.39 17.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.548 -0.751 . . . . 75.53 109.41 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.1 p -58.42 123.05 14.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.754 0.311 . . . . 35.13 110.194 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.789 HD22 ' HB2' ' A' ' 18' ' ' SER . 2.4 tt -85.49 99.58 11.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.799 -0.815 . . . . 53.2 108.799 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.3 m -118.82 123.42 44.72 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.228 0.537 . . . . 73.12 109.741 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 11.0 t -90.61 104.54 17.11 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.588 -0.733 . . . . 71.2 109.505 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.57 ' OXT' ' HG2' ' A' ' 2' ' ' ARG . 23.7 mtp180 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.132 -0.94 . . . . 61.24 109.945 -175.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.08 -0.341 . . . . 61.4 110.08 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -138.41 -45.65 0.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.947 0.403 . . . . 70.21 110.421 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -117.23 109.15 16.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.538 -0.541 . . . . 64.21 109.538 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 1.9 m -113.43 137.52 51.41 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.791 -0.364 . . . . 72.53 111.164 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -171.73 157.01 4.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 53.05 110.397 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.87 126.3 30.52 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 116.378 -0.374 . . . . 71.24 110.104 172.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -120.41 146.4 46.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.346 . . . . 75.3 111.232 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -62.01 131.22 48.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.245 0.545 . . . . 75.21 111.421 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.09 -130.31 9.69 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.785 -0.721 . . . . 33.41 112.254 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.0 171.75 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.709 0.29 . . . . 72.41 110.741 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.9 m -110.4 179.32 4.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.347 -0.388 . . . . 71.41 110.572 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -93.4 165.61 12.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.582 -0.281 . . . . 70.02 110.283 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -80.22 6.16 12.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.838 0.351 . . . . 64.01 111.617 -173.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -100.44 -3.92 29.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.108 0.48 . . . . 74.21 109.837 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.879 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 36.8 mt-10 -105.46 150.7 25.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.753 -0.658 . . . . 60.44 110.009 -177.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -99.29 138.01 36.99 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.672 -0.492 . . . . 73.0 109.672 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -82.05 108.52 15.6 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.538 -0.542 . . . . 75.11 109.538 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.819 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 4.8 m -81.69 -48.92 11.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.996 -0.547 . . . . 65.04 110.504 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.68 -148.15 7.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.876 -0.678 . . . . 35.42 111.931 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.2 p -134.1 142.35 47.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.02 0.438 . . . . 70.53 111.412 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.8 m -125.28 109.75 13.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 70.3 110.477 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -97.7 100.83 12.23 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.037 0.446 . . . . 55.31 110.171 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.6 mt -130.93 139.54 50.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.839 -0.618 . . . . 72.33 109.967 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 67.26 10.94 8.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.598 0.713 . . . . 71.34 110.435 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.87 9.47 74.23 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.943 -0.646 . . . . 75.53 112.032 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -118.11 133.52 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.024 -0.732 . . . . 74.14 109.024 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tt -84.88 110.02 18.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.87 0.843 . . . . 74.02 110.643 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -100.16 112.35 24.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.216 -0.902 . . . . 62.24 109.572 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 m -69.76 119.6 14.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.963 0.411 . . . . 73.44 110.035 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.819 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 60.3 tp -76.77 106.76 8.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.908 -0.587 . . . . 65.31 109.56 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.2 m -129.53 163.95 24.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.222 -0.444 . . . . 74.12 109.924 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 33.2 t -143.45 124.39 14.33 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.923 -0.399 . . . . 64.15 109.923 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.879 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.687 0 N-CA-C 109.046 -0.724 . . . . 71.42 109.046 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 121.302 0.572 . . . . 74.32 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -140.93 -31.55 0.6 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.166 -0.924 . . . . 75.34 110.462 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -107.43 90.15 3.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.323 -0.621 . . . . 73.12 109.323 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.7 m -104.68 138.15 41.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.282 -0.417 . . . . 71.14 111.572 -171.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 ptm85 -171.16 155.71 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.737 -0.665 . . . . 75.45 109.859 169.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -77.89 129.39 35.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.94 -0.573 . . . . 74.5 110.863 -178.493 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -116.86 150.52 38.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.043 0.449 . . . . 74.14 111.352 -174.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.443 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 35.7 p90 -86.96 136.59 32.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.881 -0.6 . . . . 74.21 110.911 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.47 -98.54 2.0 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.863 -0.684 . . . . 63.54 112.903 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -111.57 162.51 15.06 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.136 0.493 . . . . 63.1 111.255 -176.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -121.79 172.17 8.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.449 -0.796 . . . . 74.44 108.901 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.705 ' HE1' ' HD3' ' A' ' 14' ' ' ARG . 8.0 t80 -85.12 147.3 26.7 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.038 -0.727 . . . . 74.31 109.038 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.76 -3.09 26.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.036 0.446 . . . . 75.55 111.747 -175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.705 ' HD3' ' HE1' ' A' ' 12' ' ' PHE . 38.4 mtp85 -96.44 -7.57 34.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.799 174.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HG3' ' HB3' ' A' ' 12' ' ' PHE . 40.8 mt-10 -82.02 135.09 35.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.192 -0.458 . . . . 51.03 110.688 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 m -80.38 133.87 35.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.892 -0.595 . . . . 74.25 109.506 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -87.93 106.93 18.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.077 0.465 . . . . 73.02 110.167 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.567 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 20.3 m -83.09 -50.89 8.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.849 -0.614 . . . . 71.44 110.917 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.26 -130.73 1.49 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.09 -0.576 . . . . 74.32 111.993 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 p -153.12 147.14 25.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.924 0.392 . . . . 75.41 111.574 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.83 109.22 14.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.54 . . . . 75.33 110.583 176.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -83.03 103.38 12.43 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.113 -0.699 . . . . 65.31 109.113 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.445 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 60.3 mt -113.77 110.16 31.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.343 -0.389 . . . . 74.42 110.714 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 64.05 23.64 13.3 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.75 -0.659 . . . . 61.54 111.91 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.69 -6.21 44.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.92 -0.657 . . . . 63.11 112.98 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.65 133.9 55.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.779 -0.452 . . . . 73.14 109.779 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.1 tt -93.03 110.53 23.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.765 0.793 . . . . 61.32 111.329 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.448 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 16.2 m-85 -92.83 119.69 32.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.405 -0.816 . . . . 64.43 109.188 175.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 p -67.99 122.48 18.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.682 0.277 . . . . 72.4 110.303 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.647 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 56.5 tp -76.88 99.55 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.205 0.526 . . . . 74.43 110.202 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 57.7 m -118.59 168.51 10.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.307 -0.86 . . . . 41.12 109.722 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' H ' ' HB3' ' A' ' 15' ' ' GLU . 39.7 t -153.16 120.55 5.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.581 -0.448 . . . . 75.44 111.887 -171.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? . . . . . 0 C--O 1.25 1.107 0 CA-C-O 119.052 -0.499 . . . . 72.01 110.026 176.731 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.517 ' O ' ' HD2' ' A' ' 1' ' ' ARG . 6.0 ppt_? . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.712 0.291 . . . . 74.44 110.295 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 25.6 tpp180 -172.08 -54.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.885 -0.598 . . . . 74.3 109.403 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -120.32 100.82 7.39 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.157 -0.683 . . . . 62.53 109.157 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 32' ' ' CYS . 2.9 m -112.32 136.16 52.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.241 -0.436 . . . . 42.54 110.344 -174.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -172.44 158.47 4.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 64.13 110.381 171.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.59 126.05 30.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.296 -0.411 . . . . 74.05 110.293 175.017 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -111.49 143.11 42.86 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.894 0.378 . . . . 64.1 111.976 -174.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.46 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 58.9 t80 -81.76 101.28 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.059 0.457 . . . . 73.1 110.225 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.84 -139.45 10.92 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.183 -0.767 . . . . 52.4 111.183 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.1 154.32 25.61 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.927 -0.397 . . . . 72.22 109.927 176.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.9 m -98.53 162.93 12.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.733 0.302 . . . . 75.3 110.529 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -84.31 165.22 18.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.479 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -66.93 -29.6 69.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.74 0.305 . . . . 64.01 111.141 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' HG3' ' H ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -73.86 2.29 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.872 0.693 . . . . 75.41 112.872 -175.69 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.9 pt-20 -130.69 140.79 50.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.848 0.356 . . . . 74.54 110.113 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -83.2 142.52 31.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.539 -176.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -82.98 107.34 15.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.818 -0.628 . . . . 71.13 109.533 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.463 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 17.1 m -82.29 -46.81 13.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.63 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.66 -141.08 4.56 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.913 -0.585 . . . . 71.13 111.823 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 p -150.92 133.38 15.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.002 0.43 . . . . 72.35 111.168 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.3 m -99.11 123.71 43.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.929 -0.578 . . . . 74.43 110.135 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -98.08 84.87 3.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.251 0.548 . . . . 75.33 109.573 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 64.0 mt -100.51 120.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 74.33 110.879 -175.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 64.49 22.32 12.67 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.274 0.559 . . . . 73.14 111.311 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 18.64 59.49 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.826 -0.702 . . . . 71.04 112.073 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -122.89 149.66 43.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.541 -0.54 . . . . 74.41 109.541 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 tt -101.22 115.21 42.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.76 0.791 . . . . 73.45 111.659 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 62.6 m-85 -109.65 116.24 31.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.281 -0.872 . . . . 64.25 108.814 174.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 p -69.33 116.88 10.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.845 0.355 . . . . 61.15 110.882 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.603 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 67.1 tp -73.71 107.99 6.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.277 -0.42 . . . . 72.25 110.192 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.9 m -132.92 160.79 36.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.769 -0.65 . . . . 41.13 110.26 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 48.1 t -157.17 142.63 17.37 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.922 -0.399 . . . . 44.01 109.922 -177.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.116 0 N-CA-C 109.056 -0.72 . . . . 53.43 109.056 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.476 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 34.8 tpt85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.429 0.157 . . . . 62.22 111.225 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 88.2 m -154.16 121.48 5.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 72.33 110.827 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.766 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 2.3 m -98.87 138.21 36.33 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.774 -0.825 . . . . 51.34 108.774 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -162.81 151.34 14.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.41 0.624 . . . . 74.32 112.06 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -78.75 122.33 25.88 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.092 -0.958 . . . . 74.33 110.753 173.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -127.74 147.87 50.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.055 0.455 . . . . 70.44 111.926 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -76.16 128.38 34.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.855 -0.611 . . . . 51.33 110.268 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.02 -161.06 21.64 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.335 -0.706 . . . . 71.14 111.335 -176.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -91.59 166.56 12.76 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.885 -0.326 . . . . 71.24 110.189 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 40.5 m -100.27 -179.25 4.07 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.061 0.457 . . . . 75.53 111.24 -174.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.565 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 48.9 t80 -84.06 151.26 25.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.701 -0.851 . . . . 64.14 108.701 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -58.57 -30.27 67.03 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.188 0.44 . . . . 74.4 112.188 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -84.12 -9.54 58.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.591 0.234 . . . . 64.32 111.551 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.876 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 61.2 mt-10 -85.14 118.46 24.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.772 -0.455 . . . . 63.25 109.772 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -75.59 121.68 22.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.378 -0.374 . . . . 52.12 110.774 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.46 107.62 2.11 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.619 -0.511 . . . . 74.05 109.619 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.613 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 13.3 m -82.98 -43.34 16.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.831 -0.622 . . . . 62.12 111.06 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 30' ' ' LEU . . . 179.66 -154.08 13.15 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.667 -0.778 . . . . 62.42 112.237 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.506 ' HB3' HD11 ' A' ' 27' ' ' ILE . 15.8 m -121.78 128.16 51.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 60.03 110.848 -175.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 60.8 m -108.77 128.05 54.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.932 -0.576 . . . . 61.24 110.83 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -122.93 110.96 16.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.361 0.601 . . . . 72.54 110.599 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.74 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 75.4 mt -121.24 121.14 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.802 -0.635 . . . . 73.54 110.323 -177.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 66.71 15.3 10.09 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.801 -0.636 . . . . 74.43 111.743 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.75 4.98 51.62 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.631 -0.795 . . . . 63.22 113.291 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -124.52 136.72 54.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.092 0.446 . . . . 73.32 110.069 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.506 HD11 ' HB3' ' A' ' 20' ' ' SER . 13.9 tt -94.97 123.46 47.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.735 0.779 . . . . 53.43 112.066 -174.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.74 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 40.1 m-85 -105.51 144.76 31.82 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.108 -0.951 . . . . 74.52 108.933 174.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -74.31 119.01 17.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.78 0.324 . . . . 74.41 110.401 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 49.1 tp -86.19 101.71 13.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 72.1 109.929 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.3 m -124.29 151.36 44.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.259 -0.428 . . . . 31.42 110.185 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.766 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 8.6 t -118.92 114.91 23.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.02 0.438 . . . . 74.1 110.274 -176.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.876 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 9.2 ptm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 115.353 -0.84 . . . . 74.11 109.777 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.488 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 2.3 tpm_? . . . . . 0 CA--C 1.52 -0.191 0 N-CA-C 108.709 -0.848 . . . . 75.23 108.709 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -130.8 95.86 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.613 -0.721 . . . . 63.31 109.158 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 4.5 m -110.57 137.32 48.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.537 -0.302 . . . . 75.15 111.686 -170.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -171.31 150.87 2.98 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.004 -0.544 . . . . 75.23 110.211 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.725 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -79.3 128.42 33.3 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.988 -0.551 . . . . 63.34 111.008 179.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -124.12 147.41 47.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.825 0.345 . . . . 73.22 111.178 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -71.55 150.46 44.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.208 -0.451 . . . . 65.13 111.235 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.36 -155.15 53.42 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.796 -0.638 . . . . 45.11 112.58 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -72.85 159.02 34.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 71.34 110.296 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.9 m -99.6 168.34 10.01 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.798 -0.445 . . . . 44.44 109.798 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -78.77 154.88 29.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.766 -0.827 . . . . 64.22 108.766 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -65.64 -14.15 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.362 0.504 . . . . 73.42 112.362 -172.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -86.61 -14.34 43.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.953 0.406 . . . . 75.13 111.024 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG2' ' HD2' ' A' ' 33' ' ' ARG . 30.4 mt-10 -93.76 120.55 34.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.673 -173.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -74.15 129.87 38.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.248 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -74.69 106.84 6.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.951 -0.388 . . . . 64.32 109.951 -177.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.676 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 16.6 m -83.12 -55.7 4.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.246 -0.434 . . . . 64.51 110.613 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.96 -134.77 2.12 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.86 -0.609 . . . . 60.23 111.864 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.9 p -141.1 148.32 39.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.09 0.445 . . . . 61.34 111.143 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.2 m -120.26 128.59 53.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.305 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -98.99 100.78 12.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.074 0.464 . . . . 52.43 110.347 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.522 ' HB ' ' CE1' ' A' ' 28' ' ' PHE . 57.5 mt -130.28 132.44 64.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.402 -0.592 . . . . 61.34 109.402 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 67.48 9.86 7.33 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.608 0.718 . . . . 60.15 110.759 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.73 9.27 78.49 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.707 -0.758 . . . . 54.34 111.642 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 26' ' ' ARG . 33.9 mtp85 -110.77 139.3 46.19 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.575 -0.528 . . . . 73.25 109.575 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 27' ' ' ILE . 11.0 tt -92.86 100.58 11.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 122.004 0.907 . . . . 62.32 110.732 -177.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.522 ' CE1' ' HB ' ' A' ' 23' ' ' ILE . 94.0 m-85 -87.53 116.3 25.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.47 -0.786 . . . . 73.13 109.776 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -59.82 111.56 1.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.911 0.386 . . . . 24.54 110.125 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.725 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 58.7 tp -73.82 102.79 4.14 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.36 -0.607 . . . . 40.52 109.36 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.4 m -124.82 136.52 53.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.209 -0.45 . . . . 62.22 109.919 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 54.0 t -123.54 131.73 53.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.11 -0.496 . . . . 72.54 110.416 -175.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HD2' ' HG2' ' A' ' 15' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.871 0 N-CA-C 108.831 -0.803 . . . . 72.34 108.831 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.708 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.79 0.328 . . . . 64.32 110.662 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 m -123.74 103.98 8.71 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.032 -0.358 . . . . 75.31 110.032 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 4.1 m -99.17 135.48 40.52 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.534 -0.466 . . . . 72.35 109.831 -177.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -171.22 149.21 2.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.6 -0.518 . . . . 74.32 109.6 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -85.84 126.78 34.3 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.789 0.328 . . . . 71.14 111.562 -178.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -117.28 139.71 50.47 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.649 0.261 . . . . 74.21 110.474 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.423 ' N ' ' HD1' ' A' ' 28' ' ' PHE . 75.6 t80 -79.06 113.64 17.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.434 . . . . 72.15 110.275 -177.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.32 -140.07 12.04 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.417 -0.673 . . . . 43.54 111.417 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -101.08 169.51 8.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.875 0.369 . . . . 63.3 110.79 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 79.3 m -127.45 174.1 9.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 74.31 109.708 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -94.19 165.13 12.76 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.077 -0.712 . . . . 70.54 109.077 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -73.92 -22.51 59.65 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.543 -0.463 . . . . 73.24 111.282 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -62.32 -38.82 90.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.304 0.573 . . . . 75.21 109.979 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.653 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 4.2 pt-20 -92.93 112.8 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.739 -0.664 . . . . 61.33 109.748 177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.8 m -79.02 128.12 32.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.829 -0.623 . . . . 71.3 111.14 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.445 ' HE1' ' HB3' ' A' ' 29' ' ' SER . 78.3 t80 -69.5 106.29 2.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 73.41 109.585 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.4 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 14.8 m -83.65 -42.0 17.15 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 64.43 110.915 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.75 -154.84 14.26 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.913 -0.66 . . . . 50.32 112.091 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -114.83 153.41 30.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.852 0.358 . . . . 64.41 111.094 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 30' ' ' LEU . 86.1 m -133.62 113.66 12.64 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.276 0.472 . . . . 53.23 112.276 -176.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -85.51 102.24 13.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.475 -0.565 . . . . 74.54 109.475 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.644 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 57.0 mt -132.09 107.52 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.962 0.41 . . . . 62.11 111.145 -176.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.8 m120 53.48 58.99 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.252 -0.885 . . . . 73.25 112.37 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.09 -9.89 62.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.907 -0.663 . . . . 65.43 113.801 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -119.35 142.57 48.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.454 0.627 . . . . 74.25 110.337 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -100.87 99.44 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-O 122.125 0.964 . . . . 70.05 110.01 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.644 ' CE2' ' HB ' ' A' ' 23' ' ' ILE . 81.5 m-85 -85.64 159.59 19.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.081 -0.963 . . . . 75.41 111.371 -174.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 7.0 m -96.69 113.84 25.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.712 -0.677 . . . . 74.41 109.646 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.536 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 46.5 tp -72.92 105.05 4.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.84 0.352 . . . . 73.14 110.427 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 73.3 m -128.08 142.37 51.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.154 -0.476 . . . . 72.32 110.003 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 47.5 t -130.24 111.81 12.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.488 -0.324 . . . . 74.11 110.797 -174.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.722 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.815 -0.612 . . . . 71.34 109.708 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.607 0.241 . . . . 72.12 111.187 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -133.82 105.14 6.63 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.805 -0.443 . . . . 63.31 109.805 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.2 m -101.61 138.42 38.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.37 -0.377 . . . . 73.42 110.624 -174.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 -167.9 152.31 6.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 64.33 110.538 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.866 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.39 116.93 19.15 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.905 -0.589 . . . . 72.34 110.226 176.178 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -112.53 161.11 17.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 71.54 111.245 -176.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.485 ' HA ' ' HD2' ' A' ' 28' ' ' PHE . 55.4 t80 -69.39 110.91 4.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.803 -0.635 . . . . 72.04 112.113 -174.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.52 -108.73 2.62 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.795 -0.639 . . . . 72.43 114.588 168.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -90.45 133.22 35.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.949 0.404 . . . . 74.14 111.992 -169.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 81.2 m -103.46 156.71 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 64.33 109.952 174.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -75.51 164.75 26.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.685 0.279 . . . . 63.2 110.274 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -63.46 -22.33 66.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.346 -0.388 . . . . 75.33 111.966 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -100.51 6.5 44.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.138 0.422 . . . . 72.1 112.138 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.886 ' HG2' ' HG3' ' A' ' 33' ' ' ARG . 43.7 mt-10 -93.95 113.39 25.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.184 -0.673 . . . . 71.33 109.184 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.5 p -71.94 122.31 20.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.526 . . . . 60.02 111.049 -175.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 29' ' ' SER . 24.3 t80 -82.74 106.62 14.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.204 -0.453 . . . . 65.23 109.959 -176.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.552 ' HB2' HD22 ' A' ' 30' ' ' LEU . 18.7 m -82.78 -48.46 10.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.31 0.576 . . . . 75.52 110.445 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.93 -136.56 2.78 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.488 -0.778 . . . . 62.51 111.499 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -147.6 143.01 27.42 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.776 0.322 . . . . 45.43 110.361 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.7 m -119.26 114.42 22.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.353 -0.385 . . . . 73.51 110.809 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 11.0 t30 -85.78 98.53 10.78 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.164 -0.68 . . . . 72.21 109.164 174.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -112.35 112.76 41.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.991 -0.55 . . . . 64.0 110.708 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 60.05 31.5 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 55.2 111.309 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.48 -21.4 41.14 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.758 -0.734 . . . . 55.34 113.083 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -104.82 127.37 52.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.04 0.42 . . . . 52.13 110.376 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.497 ' HA ' ' HA ' ' A' ' 22' ' ' ASN . 15.6 tt -94.67 124.01 47.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.373 0.606 . . . . 65.21 110.151 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.485 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 62.2 m-85 -112.93 138.9 49.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.844 -0.616 . . . . 74.14 110.11 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.489 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 15.1 m -73.26 116.47 13.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.498 -0.319 . . . . 43.45 110.427 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.866 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 2.6 tt -74.18 109.44 7.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.624 -0.509 . . . . 63.32 109.624 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 71.2 m -130.84 137.75 49.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.991 0.424 . . . . 72.03 110.328 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 12.9 t -107.91 126.17 52.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.548 -176.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.886 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.243 0.755 0 CA-C-N 115.848 -0.615 . . . . 63.33 110.187 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.923 0.392 . . . . 72.5 110.622 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.9 m -133.48 119.02 19.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.829 0.347 . . . . 55.03 110.229 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 5.2 m -97.76 136.92 37.41 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.683 -0.858 . . . . 70.12 108.683 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -160.99 150.3 16.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.386 0.612 . . . . 75.3 111.369 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -78.45 120.92 23.86 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.098 -0.955 . . . . 72.25 110.787 173.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -128.08 152.2 48.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.72 0.295 . . . . 55.2 110.645 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.546 ' HB3' ' CD1' ' A' ' 28' ' ' PHE . 44.3 p90 -94.05 159.98 14.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.285 -0.416 . . . . 73.1 110.732 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.43 -117.5 4.65 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.739 -0.664 . . . . 52.12 112.396 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -112.67 146.27 38.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.445 0.164 . . . . 72.41 110.945 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -99.99 167.65 10.35 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.128 -0.693 . . . . 53.42 109.128 171.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.35 150.85 25.1 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.247 -0.649 . . . . 73.33 109.247 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -63.12 -18.73 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.491 . . . . 72.24 111.214 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -88.06 -6.7 57.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.901 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.641 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 52.2 mt-10 -91.44 114.16 26.62 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.759 -0.46 . . . . 75.25 109.759 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.7 m -68.0 119.5 12.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.339 -0.391 . . . . 60.41 110.541 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -78.51 106.63 10.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.268 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.635 ' HB2' HD22 ' A' ' 30' ' ' LEU . 54.1 m -83.83 -50.04 8.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.055 -0.521 . . . . 72.04 111.253 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.0 -135.73 1.98 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.875 -0.678 . . . . 35.15 112.106 -176.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.2 p -153.59 134.5 13.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.913 0.387 . . . . 72.2 111.187 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 65.9 m -101.25 154.3 18.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.067 -0.515 . . . . 72.41 110.127 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -127.8 105.48 8.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.844 -0.428 . . . . 63.4 109.844 174.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.48 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 64.4 mt -102.23 97.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.053 -0.521 . . . . 61.41 110.442 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 58.98 39.0 24.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.35 -0.841 . . . . 32.12 111.638 173.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.23 -19.74 26.74 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.427 -0.892 . . . . 64.11 113.246 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -102.64 136.56 42.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.018 0.409 . . . . 65.41 110.355 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.7 tt -102.75 124.83 57.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.445 0.64 . . . . 71.01 110.755 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 8' ' ' PHE . 56.2 m-85 -116.54 126.32 53.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.202 -0.666 . . . . 73.3 109.202 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 p -66.85 128.39 36.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.943 0.401 . . . . 75.21 110.344 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 ' HB2' ' A' ' 18' ' ' SER . 4.5 tt -83.99 99.52 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.143 -0.688 . . . . 65.1 109.143 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.596 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 86.3 m -115.49 141.27 48.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.577 -0.738 . . . . 41.31 109.449 -178.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 12.9 t -119.07 104.49 10.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.397 -0.365 . . . . 73.32 110.909 -171.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.641 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.727 -0.654 . . . . 75.33 110.369 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.407 ' HD2' HH11 ' A' ' 2' ' ' ARG . 15.5 ptt180 . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.961 0.41 . . . . 64.32 110.286 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.9 m -134.67 97.58 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.557 -0.534 . . . . 72.04 109.557 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 2.7 m -99.44 137.07 38.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 72.33 110.248 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -171.25 156.31 4.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 73.11 110.125 172.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.65 120.72 23.72 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 116.117 -0.492 . . . . 53.3 110.409 174.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -120.0 152.51 37.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 75.45 110.36 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.438 ' HB3' ' CD1' ' A' ' 28' ' ' PHE . 37.3 p90 -84.75 131.65 34.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.038 0.447 . . . . 74.5 110.613 -178.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.29 -124.88 6.91 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.922 -0.656 . . . . 73.13 112.446 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -112.17 164.93 12.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.332 -0.247 . . . . 71.51 110.332 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.458 ' SG ' ' HD2' ' A' ' 17' ' ' TYR . 56.9 m -99.54 128.94 45.67 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.245 -1.02 . . . . 53.33 108.245 169.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.27 165.96 21.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.881 0.372 . . . . 73.54 110.976 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -58.77 -25.8 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.925 -0.58 . . . . 74.24 112.44 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -93.49 -0.93 56.18 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.746 -0.381 . . . . 72.1 110.828 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.965 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 52.4 mt-10 -106.84 118.08 35.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.523 -0.308 . . . . 64.11 110.328 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 11.2 p -76.85 135.34 38.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.304 -0.407 . . . . 75.44 110.572 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.458 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 68.0 t80 -86.29 105.94 17.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.016 0.436 . . . . 74.02 109.923 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.503 ' HB2' HD22 ' A' ' 30' ' ' LEU . 25.0 m -84.27 -46.54 11.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.977 -0.556 . . . . 74.15 110.672 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.5 -129.67 1.39 Allowed Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.804 -0.634 . . . . 44.01 111.914 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -152.72 161.27 42.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.63 0.252 . . . . 45.44 111.073 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.7 m -139.09 116.84 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 74.25 110.847 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -87.85 103.27 15.5 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.958 -0.756 . . . . 72.12 108.958 173.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.687 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 65.6 mt -127.05 112.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.499 -0.319 . . . . 61.13 110.742 -174.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 m120 58.54 55.24 4.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.703 -0.681 . . . . 72.43 112.06 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 14.0 74.71 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.62 -0.718 . . . . 72.32 113.281 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -133.73 128.08 34.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.842 0.353 . . . . 73.12 110.641 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -96.0 110.96 25.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.843 0.83 . . . . 70.11 110.546 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.687 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 49.9 m-85 -100.7 151.63 21.43 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.266 -0.879 . . . . 73.54 109.85 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -93.77 130.47 39.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.296 -0.631 . . . . 74.13 109.296 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 2.8 tt -80.72 102.6 10.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.59 -0.522 . . . . 63.54 109.59 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 16' ' ' SER . 1.8 m -117.06 135.05 54.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.401 -0.592 . . . . 72.14 109.401 -178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 49.9 t -117.6 105.8 12.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.257 0.551 . . . . 75.22 110.515 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.965 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 7.5 ptm180 . . . . . 0 C--O 1.252 1.192 0 CA-C-N 115.414 -0.812 . . . . 75.45 109.872 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.57 ' HG2' ' OXT' ' A' ' 33' ' ' ARG . 7.1 ptp180 . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 109.595 -0.52 . . . . 62.13 109.595 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 m -147.37 118.67 7.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 73.34 110.283 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 9.8 m -99.24 138.69 35.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.684 -0.235 . . . . 73.33 110.783 -173.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -165.73 150.11 8.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.052 0.453 . . . . 72.13 111.096 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.88 130.13 35.32 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.83 -0.623 . . . . 55.42 110.792 173.154 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.607 ' HD3' ' HB3' ' A' ' 11' ' ' CYS . 15.9 ptm180 -132.33 139.8 48.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.651 0.262 . . . . 61.04 110.949 177.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -65.44 153.78 40.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.925 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.52 -142.27 30.98 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.186 -0.766 . . . . 71.1 111.186 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -111.04 160.85 16.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.985 0.421 . . . . 72.22 110.143 173.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HB3' ' HD3' ' A' ' 7' ' ' ARG . 7.4 p -98.77 -179.44 4.29 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.684 -0.689 . . . . 64.02 110.157 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.577 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 36.2 m-85 -76.83 153.55 34.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.751 -0.463 . . . . 71.11 109.751 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -77.15 1.97 16.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 74.01 110.931 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -100.68 -3.02 31.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.88 -0.6 . . . . 54.52 110.243 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 12' ' ' PHE . 41.3 mt-10 -101.54 143.15 31.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.799 -0.637 . . . . 72.52 109.579 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -84.99 118.71 24.73 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.237 -0.185 . . . . 70.41 110.806 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -73.09 106.83 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.957 0.408 . . . . 74.51 109.991 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.789 ' HB2' HD22 ' A' ' 30' ' ' LEU . 16.5 m -84.14 -44.52 13.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.838 -0.619 . . . . 72.31 111.31 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.89 -149.18 8.7 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.828 -0.701 . . . . 64.33 111.866 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 m -133.62 133.79 42.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.67 0.271 . . . . 72.35 110.709 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 84.1 m -105.59 141.48 36.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.357 -0.383 . . . . 73.04 110.948 176.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -120.25 101.73 8.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.859 -0.793 . . . . 64.33 108.859 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -122.08 123.79 69.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.851 -0.613 . . . . 71.32 110.111 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.92 26.97 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 73.43 111.027 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.97 13.08 83.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.089 -0.577 . . . . 62.04 112.215 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 26' ' ' ARG . 54.7 mtt-85 -119.43 127.71 53.35 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.252 -0.648 . . . . 74.15 109.252 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -80.41 129.89 36.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.363 0.602 . . . . 61.11 110.914 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -128.0 114.39 17.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.548 -0.751 . . . . 75.53 109.41 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.1 p -58.42 123.05 14.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.754 0.311 . . . . 35.13 110.194 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.789 HD22 ' HB2' ' A' ' 18' ' ' SER . 2.4 tt -85.49 99.58 11.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.799 -0.815 . . . . 53.2 108.799 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.3 m -118.82 123.42 44.72 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.228 0.537 . . . . 73.12 109.741 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 11.0 t -90.61 104.54 17.11 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.588 -0.733 . . . . 71.2 109.505 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.57 ' OXT' ' HG2' ' A' ' 2' ' ' ARG . 23.7 mtp180 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.132 -0.94 . . . . 61.24 109.945 -175.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 120.947 0.403 . . . . 70.21 110.421 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -117.23 109.15 16.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.538 -0.541 . . . . 64.21 109.538 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 1.9 m -113.43 137.52 51.41 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.791 -0.364 . . . . 72.53 111.164 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -171.73 157.01 4.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 53.05 110.397 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.87 126.3 30.52 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 116.378 -0.374 . . . . 71.24 110.104 172.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -120.41 146.4 46.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.346 . . . . 75.3 111.232 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -62.01 131.22 48.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.245 0.545 . . . . 75.21 111.421 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.09 -130.31 9.69 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.785 -0.721 . . . . 33.41 112.254 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.0 171.75 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.709 0.29 . . . . 72.41 110.741 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.9 m -110.4 179.32 4.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.347 -0.388 . . . . 71.41 110.572 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -93.4 165.61 12.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.582 -0.281 . . . . 70.02 110.283 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -80.22 6.16 12.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.838 0.351 . . . . 64.01 111.617 -173.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -100.44 -3.92 29.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.108 0.48 . . . . 74.21 109.837 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.879 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 36.8 mt-10 -105.46 150.7 25.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.753 -0.658 . . . . 60.44 110.009 -177.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -99.29 138.01 36.99 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.672 -0.492 . . . . 73.0 109.672 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -82.05 108.52 15.6 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.538 -0.542 . . . . 75.11 109.538 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.819 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 4.8 m -81.69 -48.92 11.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.996 -0.547 . . . . 65.04 110.504 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.68 -148.15 7.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.876 -0.678 . . . . 35.42 111.931 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.2 p -134.1 142.35 47.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.02 0.438 . . . . 70.53 111.412 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.8 m -125.28 109.75 13.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 70.3 110.477 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -97.7 100.83 12.23 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.037 0.446 . . . . 55.31 110.171 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.6 mt -130.93 139.54 50.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.839 -0.618 . . . . 72.33 109.967 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 67.26 10.94 8.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.598 0.713 . . . . 71.34 110.435 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.87 9.47 74.23 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.943 -0.646 . . . . 75.53 112.032 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -118.11 133.52 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.024 -0.732 . . . . 74.14 109.024 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tt -84.88 110.02 18.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.87 0.843 . . . . 74.02 110.643 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -100.16 112.35 24.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.216 -0.902 . . . . 62.24 109.572 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 m -69.76 119.6 14.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.963 0.411 . . . . 73.44 110.035 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.819 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 60.3 tp -76.77 106.76 8.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.908 -0.587 . . . . 65.31 109.56 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.2 m -129.53 163.95 24.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.222 -0.444 . . . . 74.12 109.924 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 33.2 t -143.45 124.39 14.33 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.923 -0.399 . . . . 64.15 109.923 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.879 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.687 0 N-CA-C 109.046 -0.724 . . . . 71.42 109.046 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.781 0.324 . . . . 75.34 110.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -107.43 90.15 3.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.323 -0.621 . . . . 73.12 109.323 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.7 m -104.68 138.15 41.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.282 -0.417 . . . . 71.14 111.572 -171.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 ptm85 -171.16 155.71 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.737 -0.665 . . . . 75.45 109.859 169.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -77.89 129.39 35.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.94 -0.573 . . . . 74.5 110.863 -178.493 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -116.86 150.52 38.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.043 0.449 . . . . 74.14 111.352 -174.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.443 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 35.7 p90 -86.96 136.59 32.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.881 -0.6 . . . . 74.21 110.911 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.47 -98.54 2.0 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.863 -0.684 . . . . 63.54 112.903 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -111.57 162.51 15.06 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.136 0.493 . . . . 63.1 111.255 -176.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -121.79 172.17 8.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.449 -0.796 . . . . 74.44 108.901 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.705 ' HE1' ' HD3' ' A' ' 14' ' ' ARG . 8.0 t80 -85.12 147.3 26.7 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.038 -0.727 . . . . 74.31 109.038 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.76 -3.09 26.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.036 0.446 . . . . 75.55 111.747 -175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.705 ' HD3' ' HE1' ' A' ' 12' ' ' PHE . 38.4 mtp85 -96.44 -7.57 34.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.799 174.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HG3' ' HB3' ' A' ' 12' ' ' PHE . 40.8 mt-10 -82.02 135.09 35.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.192 -0.458 . . . . 51.03 110.688 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 m -80.38 133.87 35.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.892 -0.595 . . . . 74.25 109.506 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -87.93 106.93 18.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.077 0.465 . . . . 73.02 110.167 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.567 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 20.3 m -83.09 -50.89 8.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.849 -0.614 . . . . 71.44 110.917 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.26 -130.73 1.49 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.09 -0.576 . . . . 74.32 111.993 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 p -153.12 147.14 25.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.924 0.392 . . . . 75.41 111.574 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.83 109.22 14.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.54 . . . . 75.33 110.583 176.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -83.03 103.38 12.43 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.113 -0.699 . . . . 65.31 109.113 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.445 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 60.3 mt -113.77 110.16 31.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.343 -0.389 . . . . 74.42 110.714 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 64.05 23.64 13.3 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.75 -0.659 . . . . 61.54 111.91 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.69 -6.21 44.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.92 -0.657 . . . . 63.11 112.98 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.65 133.9 55.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.779 -0.452 . . . . 73.14 109.779 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.1 tt -93.03 110.53 23.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.765 0.793 . . . . 61.32 111.329 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.448 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 16.2 m-85 -92.83 119.69 32.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.405 -0.816 . . . . 64.43 109.188 175.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 p -67.99 122.48 18.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.682 0.277 . . . . 72.4 110.303 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.647 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 56.5 tp -76.88 99.55 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.205 0.526 . . . . 74.43 110.202 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 57.7 m -118.59 168.51 10.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.307 -0.86 . . . . 41.12 109.722 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.438 ' H ' ' HB3' ' A' ' 15' ' ' GLU . 39.7 t -153.16 120.55 5.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.581 -0.448 . . . . 75.44 111.887 -171.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? . . . . . 0 C--O 1.25 1.107 0 CA-C-O 119.052 -0.499 . . . . 72.01 110.026 176.731 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.415 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 25.6 tpp180 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.403 -0.591 . . . . 74.3 109.403 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -120.32 100.82 7.39 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.157 -0.683 . . . . 62.53 109.157 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 32' ' ' CYS . 2.9 m -112.32 136.16 52.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.241 -0.436 . . . . 42.54 110.344 -174.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -172.44 158.47 4.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 64.13 110.381 171.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.59 126.05 30.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.296 -0.411 . . . . 74.05 110.293 175.017 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -111.49 143.11 42.86 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.894 0.378 . . . . 64.1 111.976 -174.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.46 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 58.9 t80 -81.76 101.28 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.059 0.457 . . . . 73.1 110.225 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.84 -139.45 10.92 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.183 -0.767 . . . . 52.4 111.183 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.1 154.32 25.61 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.927 -0.397 . . . . 72.22 109.927 176.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.9 m -98.53 162.93 12.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.733 0.302 . . . . 75.3 110.529 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -84.31 165.22 18.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.479 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -66.93 -29.6 69.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.74 0.305 . . . . 64.01 111.141 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.432 ' HG3' ' H ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -73.86 2.29 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.872 0.693 . . . . 75.41 112.872 -175.69 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.9 pt-20 -130.69 140.79 50.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.848 0.356 . . . . 74.54 110.113 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -83.2 142.52 31.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.539 -176.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -82.98 107.34 15.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.818 -0.628 . . . . 71.13 109.533 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.463 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 17.1 m -82.29 -46.81 13.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.63 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.66 -141.08 4.56 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.913 -0.585 . . . . 71.13 111.823 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 p -150.92 133.38 15.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.002 0.43 . . . . 72.35 111.168 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.3 m -99.11 123.71 43.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.929 -0.578 . . . . 74.43 110.135 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.434 HD22 ' HA ' ' A' ' 22' ' ' ASN . 2.4 t-20 -98.08 84.87 3.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.251 0.548 . . . . 75.33 109.573 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 64.0 mt -100.51 120.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 74.33 110.879 -175.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 64.49 22.32 12.67 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.274 0.559 . . . . 73.14 111.311 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 18.64 59.49 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.826 -0.702 . . . . 71.04 112.073 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -122.89 149.66 43.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.541 -0.54 . . . . 74.41 109.541 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 tt -101.22 115.21 42.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.76 0.791 . . . . 73.45 111.659 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 62.6 m-85 -109.65 116.24 31.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.281 -0.872 . . . . 64.25 108.814 174.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 p -69.33 116.88 10.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.845 0.355 . . . . 61.15 110.882 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.603 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 67.1 tp -73.71 107.99 6.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.277 -0.42 . . . . 72.25 110.192 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.9 m -132.92 160.79 36.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.769 -0.65 . . . . 41.13 110.26 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 48.1 t -157.17 142.63 17.37 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.922 -0.399 . . . . 44.01 109.922 -177.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.116 0 N-CA-C 109.056 -0.72 . . . . 53.43 109.056 178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 N--CA 1.484 1.226 0 CA-C-O 121.805 0.812 . . . . 70.35 109.576 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.476 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 34.8 tpt85 -83.14 -36.68 24.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.872 -1.058 . . . . 62.22 111.225 -175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 33' ' ' ARG . 88.2 m -154.16 121.48 5.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 72.33 110.827 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.766 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 2.3 m -98.87 138.21 36.33 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.774 -0.825 . . . . 51.34 108.774 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -162.81 151.34 14.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.41 0.624 . . . . 74.32 112.06 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 21' ' ' CYS . 0.8 OUTLIER -78.75 122.33 25.88 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.092 -0.958 . . . . 74.33 110.753 173.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -127.74 147.87 50.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.055 0.455 . . . . 70.44 111.926 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -76.16 128.38 34.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.855 -0.611 . . . . 51.33 110.268 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.02 -161.06 21.64 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 111.335 -0.706 . . . . 71.14 111.335 -176.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -91.59 166.56 12.76 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.885 -0.326 . . . . 71.24 110.189 177.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' HB3' ' OE1' ' A' ' 15' ' ' GLU . 40.5 m -100.27 -179.25 4.07 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.061 0.457 . . . . 75.53 111.24 -174.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.565 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 48.9 t80 -84.06 151.26 25.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.701 -0.851 . . . . 64.14 108.701 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -58.57 -30.27 67.03 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.188 0.44 . . . . 74.4 112.188 -174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.4 mtp180 -84.12 -9.54 58.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.591 0.234 . . . . 64.32 111.551 -177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.876 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 61.2 mt-10 -85.14 118.46 24.71 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.772 -0.455 . . . . 63.25 109.772 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.2 m -75.59 121.68 22.78 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.378 -0.374 . . . . 52.12 110.774 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.46 107.62 2.11 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.619 -0.511 . . . . 74.05 109.619 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.613 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 13.3 m -82.98 -43.34 16.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.831 -0.622 . . . . 62.12 111.06 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 30' ' ' LEU . . . 179.66 -154.08 13.15 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.667 -0.778 . . . . 62.42 112.237 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.506 ' HB3' HD11 ' A' ' 27' ' ' ILE . 15.8 m -121.78 128.16 51.42 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 60.03 110.848 -175.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 60.8 m -108.77 128.05 54.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.932 -0.576 . . . . 61.24 110.83 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -122.93 110.96 16.06 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.361 0.601 . . . . 72.54 110.599 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.74 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 75.4 mt -121.24 121.14 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.802 -0.635 . . . . 73.54 110.323 -177.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 66.71 15.3 10.09 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.801 -0.636 . . . . 74.43 111.743 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.75 4.98 51.62 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.631 -0.795 . . . . 63.22 113.291 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -124.52 136.72 54.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.092 0.446 . . . . 73.32 110.069 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.506 HD11 ' HB3' ' A' ' 20' ' ' SER . 13.9 tt -94.97 123.46 47.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.735 0.779 . . . . 53.43 112.066 -174.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.74 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 40.1 m-85 -105.51 144.76 31.82 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.108 -0.951 . . . . 74.52 108.933 174.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -74.31 119.01 17.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.78 0.324 . . . . 74.41 110.401 -177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.613 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 49.1 tp -86.19 101.71 13.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 72.1 109.929 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.3 m -124.29 151.36 44.33 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.259 -0.428 . . . . 31.42 110.185 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.766 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 8.6 t -118.92 114.91 23.31 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 121.02 0.438 . . . . 74.1 110.274 -176.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.876 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 9.2 ptm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 115.353 -0.84 . . . . 74.11 109.777 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 121.039 0.447 . . . . 72.12 109.934 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 2.3 tpm_? 176.52 -51.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.241 -0.891 . . . . 75.23 108.709 -176.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -130.8 95.86 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.613 -0.721 . . . . 63.31 109.158 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 4.5 m -110.57 137.32 48.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.537 -0.302 . . . . 75.15 111.686 -170.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -171.31 150.87 2.98 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.004 -0.544 . . . . 75.23 110.211 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.725 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -79.3 128.42 33.3 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.988 -0.551 . . . . 63.34 111.008 179.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -124.12 147.41 47.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.825 0.345 . . . . 73.22 111.178 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -71.55 150.46 44.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.208 -0.451 . . . . 65.13 111.235 -177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.36 -155.15 53.42 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.796 -0.638 . . . . 45.11 112.58 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -72.85 159.02 34.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.7 0.286 . . . . 71.34 110.296 175.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 72.9 m -99.6 168.34 10.01 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.798 -0.445 . . . . 44.44 109.798 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -78.77 154.88 29.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.766 -0.827 . . . . 64.22 108.766 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -65.64 -14.15 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.362 0.504 . . . . 73.42 112.362 -172.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -86.61 -14.34 43.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.953 0.406 . . . . 75.13 111.024 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' HG2' ' HD2' ' A' ' 33' ' ' ARG . 30.4 mt-10 -93.76 120.55 34.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.178 -0.464 . . . . 71.32 110.673 -173.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -74.15 129.87 38.67 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.248 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -74.69 106.84 6.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.951 -0.388 . . . . 64.32 109.951 -177.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.676 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 16.6 m -83.12 -55.7 4.21 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.246 -0.434 . . . . 64.51 110.613 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.96 -134.77 2.12 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.86 -0.609 . . . . 60.23 111.864 -176.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 84.9 p -141.1 148.32 39.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.09 0.445 . . . . 61.34 111.143 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.2 m -120.26 128.59 53.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.305 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -98.99 100.78 12.0 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.074 0.464 . . . . 52.43 110.347 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.522 ' HB ' ' CE1' ' A' ' 28' ' ' PHE . 57.5 mt -130.28 132.44 64.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.402 -0.592 . . . . 61.34 109.402 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 67.48 9.86 7.33 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.608 0.718 . . . . 60.15 110.759 176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.73 9.27 78.49 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.707 -0.758 . . . . 54.34 111.642 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 26' ' ' ARG . 33.9 mtp85 -110.77 139.3 46.19 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.575 -0.528 . . . . 73.25 109.575 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 27' ' ' ILE . 11.0 tt -92.86 100.58 11.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 122.004 0.907 . . . . 62.32 110.732 -177.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.522 ' CE1' ' HB ' ' A' ' 23' ' ' ILE . 94.0 m-85 -87.53 116.3 25.55 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.47 -0.786 . . . . 73.13 109.776 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -59.82 111.56 1.5 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.911 0.386 . . . . 24.54 110.125 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.725 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 58.7 tp -73.82 102.79 4.14 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.36 -0.607 . . . . 40.52 109.36 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 93.4 m -124.82 136.52 53.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.209 -0.45 . . . . 62.22 109.919 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 54.0 t -123.54 131.73 53.71 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 116.11 -0.496 . . . . 72.54 110.416 -175.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.49 ' HD2' ' HG2' ' A' ' 15' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.871 0 N-CA-C 108.831 -0.803 . . . . 72.34 108.831 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.2 ttm180 . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 121.067 0.46 . . . . 65.33 110.211 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.708 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 0.7 OUTLIER -120.95 -44.27 2.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.19 -0.459 . . . . 64.32 110.662 179.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 m -123.74 103.98 8.71 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.032 -0.358 . . . . 75.31 110.032 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 4.1 m -99.17 135.48 40.52 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.534 -0.466 . . . . 72.35 109.831 -177.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -171.22 149.21 2.78 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.6 -0.518 . . . . 74.32 109.6 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -85.84 126.78 34.3 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-O 120.789 0.328 . . . . 71.14 111.562 -178.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -117.28 139.71 50.47 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.649 0.261 . . . . 74.21 110.474 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.423 ' N ' ' HD1' ' A' ' 28' ' ' PHE . 75.6 t80 -79.06 113.64 17.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.01 0.434 . . . . 72.15 110.275 -177.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.32 -140.07 12.04 Favored Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 111.417 -0.673 . . . . 43.54 111.417 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -101.08 169.51 8.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.875 0.369 . . . . 63.3 110.79 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 79.3 m -127.45 174.1 9.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.915 -0.584 . . . . 74.31 109.708 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -94.19 165.13 12.76 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.077 -0.712 . . . . 70.54 109.077 173.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -73.92 -22.51 59.65 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.543 -0.463 . . . . 73.24 111.282 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -62.32 -38.82 90.89 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.304 0.573 . . . . 75.21 109.979 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.653 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 4.2 pt-20 -92.93 112.8 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.739 -0.664 . . . . 61.33 109.748 177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.8 m -79.02 128.12 32.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.829 -0.623 . . . . 71.3 111.14 -173.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.445 ' HE1' ' HB3' ' A' ' 29' ' ' SER . 78.3 t80 -69.5 106.29 2.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 73.41 109.585 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.4 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 14.8 m -83.65 -42.0 17.15 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.658 -0.701 . . . . 64.43 110.915 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.75 -154.84 14.26 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.913 -0.66 . . . . 50.32 112.091 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -114.83 153.41 30.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.852 0.358 . . . . 64.41 111.094 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 30' ' ' LEU . 86.1 m -133.62 113.66 12.64 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.276 0.472 . . . . 53.23 112.276 -176.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -85.51 102.24 13.33 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.475 -0.565 . . . . 74.54 109.475 174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.644 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 57.0 mt -132.09 107.52 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.962 0.41 . . . . 62.11 111.145 -176.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.8 m120 53.48 58.99 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.252 -0.885 . . . . 73.25 112.37 173.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.09 -9.89 62.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.907 -0.663 . . . . 65.43 113.801 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -119.35 142.57 48.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 117.454 0.627 . . . . 74.25 110.337 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -100.87 99.44 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-O 122.125 0.964 . . . . 70.05 110.01 176.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.644 ' CE2' ' HB ' ' A' ' 23' ' ' ILE . 81.5 m-85 -85.64 159.59 19.79 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.081 -0.963 . . . . 75.41 111.371 -174.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 7.0 m -96.69 113.84 25.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.712 -0.677 . . . . 74.41 109.646 174.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.536 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 46.5 tp -72.92 105.05 4.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.84 0.352 . . . . 73.14 110.427 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 73.3 m -128.08 142.37 51.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.154 -0.476 . . . . 72.32 110.003 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 47.5 t -130.24 111.81 12.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.488 -0.324 . . . . 74.11 110.797 -174.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.722 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.774 0 CA-C-O 118.815 -0.612 . . . . 71.34 109.708 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.775 0.321 . . . . 72.21 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -136.79 -21.5 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.076 -0.25 . . . . 72.12 111.187 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -133.82 105.14 6.63 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.805 -0.443 . . . . 63.31 109.805 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.2 m -101.61 138.42 38.63 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.37 -0.377 . . . . 73.42 110.624 -174.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptm85 -167.9 152.31 6.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.987 0.422 . . . . 64.33 110.538 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.866 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.39 116.93 19.15 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.905 -0.589 . . . . 72.34 110.226 176.178 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -112.53 161.11 17.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.041 0.448 . . . . 71.54 111.245 -176.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.485 ' HA ' ' HD2' ' A' ' 28' ' ' PHE . 55.4 t80 -69.39 110.91 4.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.803 -0.635 . . . . 72.04 112.113 -174.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.52 -108.73 2.62 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.795 -0.639 . . . . 72.43 114.588 168.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -90.45 133.22 35.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.949 0.404 . . . . 74.14 111.992 -169.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 15' ' ' GLU . 81.2 m -103.46 156.71 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.853 -0.612 . . . . 64.33 109.952 174.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -75.51 164.75 26.03 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.685 0.279 . . . . 63.2 110.274 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -63.46 -22.33 66.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.346 -0.388 . . . . 75.33 111.966 -175.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -100.51 6.5 44.29 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.138 0.422 . . . . 72.1 112.138 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.886 ' HG2' ' HG3' ' A' ' 33' ' ' ARG . 43.7 mt-10 -93.95 113.39 25.38 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.184 -0.673 . . . . 71.33 109.184 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.5 p -71.94 122.31 20.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.044 -0.526 . . . . 60.02 111.049 -175.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.489 ' CE1' ' HB3' ' A' ' 29' ' ' SER . 24.3 t80 -82.74 106.62 14.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.204 -0.453 . . . . 65.23 109.959 -176.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.552 ' HB2' HD22 ' A' ' 30' ' ' LEU . 18.7 m -82.78 -48.46 10.79 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.31 0.576 . . . . 75.52 110.445 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.93 -136.56 2.78 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.488 -0.778 . . . . 62.51 111.499 -177.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.2 m -147.6 143.01 27.42 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.776 0.322 . . . . 45.43 110.361 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.7 m -119.26 114.42 22.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.353 -0.385 . . . . 73.51 110.809 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.497 ' HA ' ' HA ' ' A' ' 27' ' ' ILE . 11.0 t30 -85.78 98.53 10.78 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.164 -0.68 . . . . 72.21 109.164 174.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.5 mt -112.35 112.76 41.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.991 -0.55 . . . . 64.0 110.708 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 60.05 31.5 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.695 -0.684 . . . . 55.2 111.309 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.48 -21.4 41.14 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.758 -0.734 . . . . 55.34 113.083 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -104.82 127.37 52.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.04 0.42 . . . . 52.13 110.376 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.497 ' HA ' ' HA ' ' A' ' 22' ' ' ASN . 15.6 tt -94.67 124.01 47.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-O 121.373 0.606 . . . . 65.21 110.151 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.485 ' HD2' ' HA ' ' A' ' 8' ' ' PHE . 62.2 m-85 -112.93 138.9 49.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.844 -0.616 . . . . 74.14 110.11 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.489 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 15.1 m -73.26 116.47 13.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.498 -0.319 . . . . 43.45 110.427 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.866 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 2.6 tt -74.18 109.44 7.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.624 -0.509 . . . . 63.32 109.624 -178.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 71.2 m -130.84 137.75 49.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.991 0.424 . . . . 72.03 110.328 -179.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 12.9 t -107.91 126.17 52.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.548 -176.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.886 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.243 0.755 0 CA-C-N 115.848 -0.615 . . . . 63.33 110.187 -178.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.473 0.654 . . . . 70.11 109.857 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -81.78 -50.9 8.71 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 72.5 110.622 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 66.9 m -133.48 119.02 19.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.829 0.347 . . . . 55.03 110.229 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 5.2 m -97.76 136.92 37.41 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.683 -0.858 . . . . 70.12 108.683 -179.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -160.99 150.3 16.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.386 0.612 . . . . 75.3 111.369 -175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -78.45 120.92 23.86 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.098 -0.955 . . . . 72.25 110.787 173.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -128.08 152.2 48.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.72 0.295 . . . . 55.2 110.645 177.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.546 ' HB3' ' CD1' ' A' ' 28' ' ' PHE . 44.3 p90 -94.05 159.98 14.92 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.285 -0.416 . . . . 73.1 110.732 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.43 -117.5 4.65 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.739 -0.664 . . . . 52.12 112.396 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -112.67 146.27 38.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.445 0.164 . . . . 72.41 110.945 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -99.99 167.65 10.35 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.128 -0.693 . . . . 53.42 109.128 171.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -84.35 150.85 25.1 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.247 -0.649 . . . . 73.33 109.247 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -63.12 -18.73 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.491 . . . . 72.24 111.214 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -88.06 -6.7 57.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.901 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.641 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 52.2 mt-10 -91.44 114.16 26.62 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.759 -0.46 . . . . 75.25 109.759 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.7 m -68.0 119.5 12.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.339 -0.391 . . . . 60.41 110.541 -178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -78.51 106.63 10.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.268 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.635 ' HB2' HD22 ' A' ' 30' ' ' LEU . 54.1 m -83.83 -50.04 8.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.055 -0.521 . . . . 72.04 111.253 178.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.0 -135.73 1.98 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.875 -0.678 . . . . 35.15 112.106 -176.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.2 p -153.59 134.5 13.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.913 0.387 . . . . 72.2 111.187 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 65.9 m -101.25 154.3 18.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.067 -0.515 . . . . 72.41 110.127 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -127.8 105.48 8.47 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.844 -0.428 . . . . 63.4 109.844 174.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.48 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 64.4 mt -102.23 97.43 5.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.053 -0.521 . . . . 61.41 110.442 -178.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 58.98 39.0 24.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.35 -0.841 . . . . 32.12 111.638 173.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.23 -19.74 26.74 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.427 -0.892 . . . . 64.11 113.246 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -102.64 136.56 42.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.018 0.409 . . . . 65.41 110.355 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.7 tt -102.75 124.83 57.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.445 0.64 . . . . 71.01 110.755 -177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 8' ' ' PHE . 56.2 m-85 -116.54 126.32 53.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.202 -0.666 . . . . 73.3 109.202 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.2 p -66.85 128.39 36.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.943 0.401 . . . . 75.21 110.344 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 ' HB2' ' A' ' 18' ' ' SER . 4.5 tt -83.99 99.52 10.47 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.143 -0.688 . . . . 65.1 109.143 -177.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.596 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 86.3 m -115.49 141.27 48.29 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.577 -0.738 . . . . 41.31 109.449 -178.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.651 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 12.9 t -119.07 104.49 10.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.397 -0.365 . . . . 73.32 110.909 -171.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.641 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.727 -0.654 . . . . 75.33 110.369 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 1' ' ' ARG . 27.3 ptt85 . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 121.464 0.649 . . . . 74.32 111.014 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' HD2' HH11 ' A' ' 2' ' ' ARG . 15.5 ptt180 -142.56 -21.36 0.67 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.994 -0.548 . . . . 64.32 110.286 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.9 m -134.67 97.58 3.82 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.557 -0.534 . . . . 72.04 109.557 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 2.7 m -99.44 137.07 38.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 72.33 110.248 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -171.25 156.31 4.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.085 -0.507 . . . . 73.11 110.125 172.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.65 120.72 23.72 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 116.117 -0.492 . . . . 53.3 110.409 174.831 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -120.0 152.51 37.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.06 -0.518 . . . . 75.45 110.36 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.438 ' HB3' ' CD1' ' A' ' 28' ' ' PHE . 37.3 p90 -84.75 131.65 34.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.038 0.447 . . . . 74.5 110.613 -178.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.29 -124.88 6.91 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.922 -0.656 . . . . 73.13 112.446 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -112.17 164.93 12.62 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.332 -0.247 . . . . 71.51 110.332 -177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' SG ' ' HD2' ' A' ' 17' ' ' TYR . 56.9 m -99.54 128.94 45.67 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.245 -1.02 . . . . 53.33 108.245 169.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.27 165.96 21.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.881 0.372 . . . . 73.54 110.976 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -58.77 -25.8 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.925 -0.58 . . . . 74.24 112.44 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -93.49 -0.93 56.18 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.746 -0.381 . . . . 72.1 110.828 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.965 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 52.4 mt-10 -106.84 118.08 35.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.523 -0.308 . . . . 64.11 110.328 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 11.2 p -76.85 135.34 38.87 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.304 -0.407 . . . . 75.44 110.572 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.458 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 68.0 t80 -86.29 105.94 17.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.016 0.436 . . . . 74.02 109.923 -179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.503 ' HB2' HD22 ' A' ' 30' ' ' LEU . 25.0 m -84.27 -46.54 11.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.977 -0.556 . . . . 74.15 110.672 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.5 -129.67 1.39 Allowed Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.804 -0.634 . . . . 44.01 111.914 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 p -152.72 161.27 42.79 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.63 0.252 . . . . 45.44 111.073 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.7 m -139.09 116.84 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.311 -0.404 . . . . 74.25 110.847 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -87.85 103.27 15.5 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.958 -0.756 . . . . 72.12 108.958 173.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.687 ' HB ' ' HE2' ' A' ' 28' ' ' PHE . 65.6 mt -127.05 112.7 29.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.499 -0.319 . . . . 61.13 110.742 -174.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.2 m120 58.54 55.24 4.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.703 -0.681 . . . . 72.43 112.06 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 14.0 74.71 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.62 -0.718 . . . . 72.32 113.281 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.8 mtm180 -133.73 128.08 34.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.842 0.353 . . . . 73.12 110.641 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -96.0 110.96 25.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.843 0.83 . . . . 70.11 110.546 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.687 ' HE2' ' HB ' ' A' ' 23' ' ' ILE . 49.9 m-85 -100.7 151.63 21.43 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.266 -0.879 . . . . 73.54 109.85 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -93.77 130.47 39.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.296 -0.631 . . . . 74.13 109.296 174.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 2.8 tt -80.72 102.6 10.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.59 -0.522 . . . . 63.54 109.59 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 16' ' ' SER . 1.8 m -117.06 135.05 54.02 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.401 -0.592 . . . . 72.14 109.401 -178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 49.9 t -117.6 105.8 12.43 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.257 0.551 . . . . 75.22 110.515 178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.965 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 7.5 ptm180 . . . . . 0 C--O 1.252 1.192 0 CA-C-N 115.414 -0.812 . . . . 75.45 109.872 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.483 ' HG3' ' HB3' ' A' ' 32' ' ' CYS . 21.5 ttt180 . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.954 0.407 . . . . 65.24 110.806 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.57 ' HG2' ' OXT' ' A' ' 33' ' ' ARG . 7.1 ptp180 -123.89 -26.22 4.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.024 -0.535 . . . . 62.13 109.595 176.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 m -147.37 118.67 7.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.348 -0.387 . . . . 73.34 110.283 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 9.8 m -99.24 138.69 35.98 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.684 -0.235 . . . . 73.33 110.783 -173.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -165.73 150.11 8.36 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.052 0.453 . . . . 72.13 111.096 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.88 130.13 35.32 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.83 -0.623 . . . . 55.42 110.792 173.154 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.607 ' HD3' ' HB3' ' A' ' 11' ' ' CYS . 15.9 ptm180 -132.33 139.8 48.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.651 0.262 . . . . 61.04 110.949 177.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -65.44 153.78 40.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.223 -0.444 . . . . 73.45 110.925 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.52 -142.27 30.98 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 111.186 -0.766 . . . . 71.1 111.186 -176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -111.04 160.85 16.47 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.985 0.421 . . . . 72.22 110.143 173.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HB3' ' HD3' ' A' ' 7' ' ' ARG . 7.4 p -98.77 -179.44 4.29 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.684 -0.689 . . . . 64.02 110.157 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.577 ' HB2' ' HG3' ' A' ' 15' ' ' GLU . 36.2 m-85 -76.83 153.55 34.73 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.751 -0.463 . . . . 71.11 109.751 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -77.15 1.97 16.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.026 0.441 . . . . 74.01 110.931 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -100.68 -3.02 31.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.88 -0.6 . . . . 54.52 110.243 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.577 ' HG3' ' HB2' ' A' ' 12' ' ' PHE . 41.3 mt-10 -101.54 143.15 31.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.799 -0.637 . . . . 72.52 109.579 -178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 m -84.99 118.71 24.73 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 121.237 -0.185 . . . . 70.41 110.806 -174.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -73.09 106.83 5.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.957 0.408 . . . . 74.51 109.991 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.789 ' HB2' HD22 ' A' ' 30' ' ' LEU . 16.5 m -84.14 -44.52 13.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.838 -0.619 . . . . 72.31 111.31 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 178.89 -149.18 8.7 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.828 -0.701 . . . . 64.33 111.866 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 m -133.62 133.79 42.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.67 0.271 . . . . 72.35 110.709 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 84.1 m -105.59 141.48 36.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.357 -0.383 . . . . 73.04 110.948 176.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -120.25 101.73 8.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.859 -0.793 . . . . 64.33 108.859 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.9 mt -122.08 123.79 69.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.851 -0.613 . . . . 71.32 110.111 -175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.92 26.97 14.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 73.43 111.027 178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.97 13.08 83.77 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.089 -0.577 . . . . 62.04 112.215 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 26' ' ' ARG . 54.7 mtt-85 -119.43 127.71 53.35 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.252 -0.648 . . . . 74.15 109.252 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.0 tt -80.41 129.89 36.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-O 121.363 0.602 . . . . 61.11 110.914 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -128.0 114.39 17.05 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.548 -0.751 . . . . 75.53 109.41 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.1 p -58.42 123.05 14.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.754 0.311 . . . . 35.13 110.194 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.789 HD22 ' HB2' ' A' ' 18' ' ' SER . 2.4 tt -85.49 99.58 11.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.799 -0.815 . . . . 53.2 108.799 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 73.3 m -118.82 123.42 44.72 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.228 0.537 . . . . 73.12 109.741 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.805 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 11.0 t -90.61 104.54 17.11 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.588 -0.733 . . . . 71.2 109.505 -179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.57 ' OXT' ' HG2' ' A' ' 2' ' ' ARG . 23.7 mtp180 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.132 -0.94 . . . . 61.24 109.945 -175.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.08 -0.341 . . . . 61.4 110.08 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -138.41 -45.65 0.5 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.947 0.403 . . . . 70.21 110.421 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -117.23 109.15 16.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.538 -0.541 . . . . 64.21 109.538 -178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 1.9 m -113.43 137.52 51.41 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.791 -0.364 . . . . 72.53 111.164 -173.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -171.73 157.01 4.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 53.05 110.397 173.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.87 126.3 30.52 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 116.378 -0.374 . . . . 71.24 110.104 172.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -120.41 146.4 46.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.44 -0.346 . . . . 75.3 111.232 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -62.01 131.22 48.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.245 0.545 . . . . 75.21 111.421 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.09 -130.31 9.69 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.785 -0.721 . . . . 33.41 112.254 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.0 171.75 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.709 0.29 . . . . 72.41 110.741 -179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.9 m -110.4 179.32 4.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.347 -0.388 . . . . 71.41 110.572 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -93.4 165.61 12.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.582 -0.281 . . . . 70.02 110.283 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -80.22 6.16 12.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.838 0.351 . . . . 64.01 111.617 -173.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -100.44 -3.92 29.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.108 0.48 . . . . 74.21 109.837 174.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.879 ' HG2' ' HB3' ' A' ' 33' ' ' ARG . 36.8 mt-10 -105.46 150.7 25.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.753 -0.658 . . . . 60.44 110.009 -177.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.7 m -99.29 138.01 36.99 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.672 -0.492 . . . . 73.0 109.672 174.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -82.05 108.52 15.6 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.538 -0.542 . . . . 75.11 109.538 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.819 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 4.8 m -81.69 -48.92 11.07 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.996 -0.547 . . . . 65.04 110.504 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -178.68 -148.15 7.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.876 -0.678 . . . . 35.42 111.931 -178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.2 p -134.1 142.35 47.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.02 0.438 . . . . 70.53 111.412 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 78.8 m -125.28 109.75 13.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 70.3 110.477 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -97.7 100.83 12.23 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.037 0.446 . . . . 55.31 110.171 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.6 mt -130.93 139.54 50.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.839 -0.618 . . . . 72.33 109.967 -176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 67.26 10.94 8.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.598 0.713 . . . . 71.34 110.435 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.87 9.47 74.23 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.943 -0.646 . . . . 75.53 112.032 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -118.11 133.52 55.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.024 -0.732 . . . . 74.14 109.024 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tt -84.88 110.02 18.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.87 0.843 . . . . 74.02 110.643 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -100.16 112.35 24.66 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.216 -0.902 . . . . 62.24 109.572 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 m -69.76 119.6 14.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.963 0.411 . . . . 73.44 110.035 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.819 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 60.3 tp -76.77 106.76 8.63 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.908 -0.587 . . . . 65.31 109.56 -179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.2 m -129.53 163.95 24.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.222 -0.444 . . . . 74.12 109.924 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 33.2 t -143.45 124.39 14.33 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.923 -0.399 . . . . 64.15 109.923 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.879 ' HB3' ' HG2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.687 0 N-CA-C 109.046 -0.724 . . . . 71.42 109.046 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 . . . . . 0 N--CA 1.477 0.891 0 CA-C-O 121.302 0.572 . . . . 74.32 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -140.93 -31.55 0.6 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.166 -0.924 . . . . 75.34 110.462 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 m -107.43 90.15 3.21 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.323 -0.621 . . . . 73.12 109.323 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.433 ' HA ' ' HA ' ' A' ' 32' ' ' CYS . 3.7 m -104.68 138.15 41.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.282 -0.417 . . . . 71.14 111.572 -171.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 ptm85 -171.16 155.71 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.737 -0.665 . . . . 75.45 109.859 169.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -77.89 129.39 35.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.94 -0.573 . . . . 74.5 110.863 -178.493 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -116.86 150.52 38.26 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.043 0.449 . . . . 74.14 111.352 -174.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.443 ' HB3' ' CE1' ' A' ' 28' ' ' PHE . 35.7 p90 -86.96 136.59 32.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.881 -0.6 . . . . 74.21 110.911 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.47 -98.54 2.0 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.863 -0.684 . . . . 63.54 112.903 176.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -111.57 162.51 15.06 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.136 0.493 . . . . 63.1 111.255 -176.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 85.8 m -121.79 172.17 8.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.449 -0.796 . . . . 74.44 108.901 168.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.705 ' HE1' ' HD3' ' A' ' 14' ' ' ARG . 8.0 t80 -85.12 147.3 26.7 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.038 -0.727 . . . . 74.31 109.038 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -73.76 -3.09 26.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.036 0.446 . . . . 75.55 111.747 -175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.705 ' HD3' ' HE1' ' A' ' 12' ' ' PHE . 38.4 mtp85 -96.44 -7.57 34.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.799 174.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HG3' ' HB3' ' A' ' 12' ' ' PHE . 40.8 mt-10 -82.02 135.09 35.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.192 -0.458 . . . . 51.03 110.688 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.2 m -80.38 133.87 35.95 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.892 -0.595 . . . . 74.25 109.506 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -87.93 106.93 18.45 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.077 0.465 . . . . 73.02 110.167 -175.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.567 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 20.3 m -83.09 -50.89 8.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.849 -0.614 . . . . 71.44 110.917 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.26 -130.73 1.49 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.09 -0.576 . . . . 74.32 111.993 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 p -153.12 147.14 25.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.924 0.392 . . . . 75.41 111.574 -177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.0 m -121.83 109.22 14.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.011 -0.54 . . . . 75.33 110.583 176.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -83.03 103.38 12.43 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.113 -0.699 . . . . 65.31 109.113 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.445 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 60.3 mt -113.77 110.16 31.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.343 -0.389 . . . . 74.42 110.714 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 64.05 23.64 13.3 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.75 -0.659 . . . . 61.54 111.91 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.69 -6.21 44.38 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.92 -0.657 . . . . 63.11 112.98 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.65 133.9 55.58 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.779 -0.452 . . . . 73.14 109.779 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.1 tt -93.03 110.53 23.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.765 0.793 . . . . 61.32 111.329 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.448 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 16.2 m-85 -92.83 119.69 32.42 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.405 -0.816 . . . . 64.43 109.188 175.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.7 p -67.99 122.48 18.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.682 0.277 . . . . 72.4 110.303 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.647 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 56.5 tp -76.88 99.55 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.205 0.526 . . . . 74.43 110.202 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 57.7 m -118.59 168.51 10.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.307 -0.86 . . . . 41.12 109.722 -177.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' H ' ' HB3' ' A' ' 15' ' ' GLU . 39.7 t -153.16 120.55 5.9 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.581 -0.448 . . . . 75.44 111.887 -171.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? . . . . . 0 C--O 1.25 1.107 0 CA-C-O 119.052 -0.499 . . . . 72.01 110.026 176.731 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.517 ' O ' ' HD2' ' A' ' 1' ' ' ARG . 6.0 ppt_? . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.712 0.291 . . . . 74.44 110.295 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' HB3' ' OXT' ' A' ' 33' ' ' ARG . 25.6 tpp180 -172.08 -54.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.885 -0.598 . . . . 74.3 109.403 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.0 m -120.32 100.82 7.39 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.157 -0.683 . . . . 62.53 109.157 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 32' ' ' CYS . 2.9 m -112.32 136.16 52.11 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.241 -0.436 . . . . 42.54 110.344 -174.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -172.44 158.47 4.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.333 -0.394 . . . . 64.13 110.381 171.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -78.59 126.05 30.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.296 -0.411 . . . . 74.05 110.293 175.017 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -111.49 143.11 42.86 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 120.894 0.378 . . . . 64.1 111.976 -174.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.46 ' HB2' ' CE1' ' A' ' 28' ' ' PHE . 58.9 t80 -81.76 101.28 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.059 0.457 . . . . 73.1 110.225 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.84 -139.45 10.92 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.183 -0.767 . . . . 52.4 111.183 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.1 154.32 25.61 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.927 -0.397 . . . . 72.22 109.927 176.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.9 m -98.53 162.93 12.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.733 0.302 . . . . 75.3 110.529 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -84.31 165.22 18.46 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.479 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -66.93 -29.6 69.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.74 0.305 . . . . 64.01 111.141 -178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' HG3' ' H ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -73.86 2.29 8.8 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.872 0.693 . . . . 75.41 112.872 -175.69 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 33' ' ' ARG . 13.9 pt-20 -130.69 140.79 50.38 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.848 0.356 . . . . 74.54 110.113 177.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.2 t -83.2 142.52 31.11 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.539 -176.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -82.98 107.34 15.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.818 -0.628 . . . . 71.13 109.533 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.463 ' HB2' ' HG ' ' A' ' 30' ' ' LEU . 17.1 m -82.29 -46.81 13.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.165 -0.47 . . . . 74.24 110.63 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.66 -141.08 4.56 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.913 -0.585 . . . . 71.13 111.823 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 p -150.92 133.38 15.54 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.002 0.43 . . . . 72.35 111.168 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.3 m -99.11 123.71 43.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.929 -0.578 . . . . 74.43 110.135 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.434 HD22 ' HA ' ' A' ' 22' ' ' ASN . 2.4 t-20 -98.08 84.87 3.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.251 0.548 . . . . 75.33 109.573 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' HB ' ' CE2' ' A' ' 28' ' ' PHE . 64.0 mt -100.51 120.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.776 -0.647 . . . . 74.33 110.879 -175.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 64.49 22.32 12.67 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.274 0.559 . . . . 73.14 111.311 174.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.78 18.64 59.49 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.826 -0.702 . . . . 71.04 112.073 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -122.89 149.66 43.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.541 -0.54 . . . . 74.41 109.541 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 tt -101.22 115.21 42.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.76 0.791 . . . . 73.45 111.659 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 62.6 m-85 -109.65 116.24 31.36 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.281 -0.872 . . . . 64.25 108.814 174.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 p -69.33 116.88 10.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.845 0.355 . . . . 61.15 110.882 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.603 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 67.1 tp -73.71 107.99 6.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.277 -0.42 . . . . 72.25 110.192 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.9 m -132.92 160.79 36.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.769 -0.65 . . . . 41.13 110.26 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 48.1 t -157.17 142.63 17.37 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.922 -0.399 . . . . 44.01 109.922 -177.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.116 0 N-CA-C 109.056 -0.72 . . . . 53.43 109.056 178.197 . . . . . . . . 2 2 . 1 stop_ save_